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/ptc-2-e2213f59/inputs/struct.pdb number of recognized chains: 13 chain '2' contains: 16 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 28 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 29 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 59 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 28 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 29 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 43 residues chain '2' is classfied as RNA number of RNA chain(s) to be parsed: 13 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 2 contains 16 nucleotides chain contains 6 nucleotides chain 2 contains 28 nucleotides chain contains 6 nucleotides chain 2 contains 29 nucleotides chain contains 6 nucleotides chain 2 contains 59 nucleotides chain contains 6 nucleotides chain 2 contains 28 nucleotides chain contains 6 nucleotides chain 2 contains 29 nucleotides chain contains 6 nucleotides chain 2 contains 43 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: 1405 n_atoms_counter: 1405 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 268.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 268.000000 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/ptc-2-e2213f59/inputs/struct.pdb number of recognized chains: 13 chain '2' contains: 16 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 28 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 29 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 59 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 28 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 29 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 43 residues chain '2' is classfied as RNA number of RNA chain(s) to be parsed: 13 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 2 contains 16 nucleotides chain contains 6 nucleotides chain 2 contains 28 nucleotides chain contains 6 nucleotides chain 2 contains 29 nucleotides chain contains 6 nucleotides chain 2 contains 59 nucleotides chain contains 6 nucleotides chain 2 contains 28 nucleotides chain contains 6 nucleotides chain 2 contains 29 nucleotides chain contains 6 nucleotides chain 2 contains 43 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: 1405 n_atoms_counter: 1405 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 268.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 268.000000 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/ptc-2-e2213f59/inputs/struct.pdb number of recognized chains: 13 chain '2' contains: 16 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 28 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 29 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 59 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 28 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 29 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 43 residues chain '2' is classfied as RNA number of RNA chain(s) to be parsed: 13 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 2 contains 16 nucleotides chain contains 6 nucleotides chain 2 contains 28 nucleotides chain contains 6 nucleotides chain 2 contains 29 nucleotides chain contains 6 nucleotides chain 2 contains 59 nucleotides chain contains 6 nucleotides chain 2 contains 28 nucleotides chain contains 6 nucleotides chain 2 contains 29 nucleotides chain contains 6 nucleotides chain 2 contains 43 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: 1405 n_atoms_counter: 1405 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 268.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 268.000000 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/ptc-2-e2213f59/inputs/struct.pdb number of recognized chains: 13 chain '2' contains: 16 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 28 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 29 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 59 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 28 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 29 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 43 residues chain '2' is classfied as RNA number of RNA chain(s) to be parsed: 13 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 2 contains 16 nucleotides chain contains 6 nucleotides chain 2 contains 28 nucleotides chain contains 6 nucleotides chain 2 contains 29 nucleotides chain contains 6 nucleotides chain 2 contains 59 nucleotides chain contains 6 nucleotides chain 2 contains 28 nucleotides chain contains 6 nucleotides chain 2 contains 29 nucleotides chain contains 6 nucleotides chain 2 contains 43 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: 1405 n_atoms_counter: 1405 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 268.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 268.000000 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/ptc-2-e2213f59/inputs/struct.pdb number of recognized chains: 13 chain '2' contains: 16 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 28 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 29 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 59 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 28 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 29 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 43 residues chain '2' is classfied as RNA number of RNA chain(s) to be parsed: 13 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 2 contains 16 nucleotides chain contains 6 nucleotides chain 2 contains 28 nucleotides chain contains 6 nucleotides chain 2 contains 29 nucleotides chain contains 6 nucleotides chain 2 contains 59 nucleotides chain contains 6 nucleotides chain 2 contains 28 nucleotides chain contains 6 nucleotides chain 2 contains 29 nucleotides chain contains 6 nucleotides chain 2 contains 43 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: 1405 n_atoms_counter: 1405 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 268.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 268.000000 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/ptc-2-e2213f59/inputs/struct.pdb number of recognized chains: 13 chain '2' contains: 16 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 28 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 29 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 59 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 28 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 29 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 43 residues chain '2' is classfied as RNA number of RNA chain(s) to be parsed: 13 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 2 contains 16 nucleotides chain contains 6 nucleotides chain 2 contains 28 nucleotides chain contains 6 nucleotides chain 2 contains 29 nucleotides chain contains 6 nucleotides chain 2 contains 59 nucleotides chain contains 6 nucleotides chain 2 contains 28 nucleotides chain contains 6 nucleotides chain 2 contains 29 nucleotides chain contains 6 nucleotides chain 2 contains 43 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: 1405 n_atoms_counter: 1405 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 268.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 268.000000 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/ptc-2-e2213f59/inputs/struct.pdb number of recognized chains: 13 chain '2' contains: 16 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 28 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 29 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 59 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 28 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 29 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 43 residues chain '2' is classfied as RNA number of RNA chain(s) to be parsed: 13 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 2 contains 16 nucleotides chain contains 6 nucleotides chain 2 contains 28 nucleotides chain contains 6 nucleotides chain 2 contains 29 nucleotides chain contains 6 nucleotides chain 2 contains 59 nucleotides chain contains 6 nucleotides chain 2 contains 28 nucleotides chain contains 6 nucleotides chain 2 contains 29 nucleotides chain contains 6 nucleotides chain 2 contains 43 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: 1405 n_atoms_counter: 1405 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 268.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 268.000000 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/ptc-2-e2213f59/inputs/struct.pdb number of recognized chains: 13 chain '2' contains: 16 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 28 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 29 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 59 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 28 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 29 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 43 residues chain '2' is classfied as RNA number of RNA chain(s) to be parsed: 13 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 2 contains 16 nucleotides chain contains 6 nucleotides chain 2 contains 28 nucleotides chain contains 6 nucleotides chain 2 contains 29 nucleotides chain contains 6 nucleotides chain 2 contains 59 nucleotides chain contains 6 nucleotides chain 2 contains 28 nucleotides chain contains 6 nucleotides chain 2 contains 29 nucleotides chain contains 6 nucleotides chain 2 contains 43 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: 1405 n_atoms_counter: 1405 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 268.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 268.000000 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/ptc-2-e2213f59/inputs/struct.pdb number of recognized chains: 13 chain '2' contains: 16 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 28 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 29 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 59 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 28 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 29 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 43 residues chain '2' is classfied as RNA number of RNA chain(s) to be parsed: 13 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 2 contains 16 nucleotides chain contains 6 nucleotides chain 2 contains 28 nucleotides chain contains 6 nucleotides chain 2 contains 29 nucleotides chain contains 6 nucleotides chain 2 contains 59 nucleotides chain contains 6 nucleotides chain 2 contains 28 nucleotides chain contains 6 nucleotides chain 2 contains 29 nucleotides chain contains 6 nucleotides chain 2 contains 43 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: 1405 n_atoms_counter: 1405 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 268.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 268.000000 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/ptc-2-e2213f59/inputs/struct.pdb number of recognized chains: 13 chain '2' contains: 16 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 28 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 29 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 59 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 28 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 29 residues chain '2' is classfied as RNA chain ' ' contains: 6 residues chain ' ' is classfied as RNA chain '2' contains: 43 residues chain '2' is classfied as RNA number of RNA chain(s) to be parsed: 13 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 2 contains 16 nucleotides chain contains 6 nucleotides chain 2 contains 28 nucleotides chain contains 6 nucleotides chain 2 contains 29 nucleotides chain contains 6 nucleotides chain 2 contains 59 nucleotides chain contains 6 nucleotides chain 2 contains 28 nucleotides chain contains 6 nucleotides chain 2 contains 29 nucleotides chain contains 6 nucleotides chain 2 contains 43 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: 1405 n_atoms_counter: 1405 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 268.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 268.000000 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: -2211.945583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.945583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.945583 (E_RNA) where: Base-Base interactions energy: -1531.552 where: short stacking energy: -531.574 Base-Backbone interact. energy: 18.653 local terms energy: -699.047177 where: bonds (distance) C4'-P energy: -67.368 bonds (distance) P-C4' energy: -215.020 flat angles C4'-P-C4' energy: -167.196 flat angles P-C4'-P energy: -107.466 tors. eta vs tors. theta energy: -141.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -2211.945583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.945583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.945583 (E_RNA) where: Base-Base interactions energy: -1531.552 where: short stacking energy: -531.574 Base-Backbone interact. energy: 18.653 local terms energy: -699.047177 where: bonds (distance) C4'-P energy: -67.368 bonds (distance) P-C4' energy: -215.020 flat angles C4'-P-C4' energy: -167.196 flat angles P-C4'-P energy: -107.466 tors. eta vs tors. theta energy: -141.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -2211.945583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.945583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.945583 (E_RNA) where: Base-Base interactions energy: -1531.552 where: short stacking energy: -531.574 Base-Backbone interact. energy: 18.653 local terms energy: -699.047177 where: bonds (distance) C4'-P energy: -67.368 bonds (distance) P-C4' energy: -215.020 flat angles C4'-P-C4' energy: -167.196 flat angles P-C4'-P energy: -107.466 tors. eta vs tors. theta energy: -141.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -2211.945583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.945583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.945583 (E_RNA) where: Base-Base interactions energy: -1531.552 where: short stacking energy: -531.574 Base-Backbone interact. energy: 18.653 local terms energy: -699.047177 where: bonds (distance) C4'-P energy: -67.368 bonds (distance) P-C4' energy: -215.020 flat angles C4'-P-C4' energy: -167.196 flat angles P-C4'-P energy: -107.466 tors. eta vs tors. theta energy: -141.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -2211.945583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.945583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.945583 (E_RNA) where: Base-Base interactions energy: -1531.552 where: short stacking energy: -531.574 Base-Backbone interact. energy: 18.653 local terms energy: -699.047177 where: bonds (distance) C4'-P energy: -67.368 bonds (distance) P-C4' energy: -215.020 flat angles C4'-P-C4' energy: -167.196 flat angles P-C4'-P energy: -107.466 tors. eta vs tors. theta energy: -141.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -2211.945583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.945583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.945583 (E_RNA) where: Base-Base interactions energy: -1531.552 where: short stacking energy: -531.574 Base-Backbone interact. energy: 18.653 local terms energy: -699.047177 where: bonds (distance) C4'-P energy: -67.368 bonds (distance) P-C4' energy: -215.020 flat angles C4'-P-C4' energy: -167.196 flat angles P-C4'-P energy: -107.466 tors. eta vs tors. theta energy: -141.998 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: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -2211.945583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.945583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.945583 (E_RNA) where: Base-Base interactions energy: -1531.552 where: short stacking energy: -531.574 Base-Backbone interact. energy: 18.653 local terms energy: -699.047177 where: bonds (distance) C4'-P energy: -67.368 bonds (distance) P-C4' energy: -215.020 flat angles C4'-P-C4' energy: -167.196 flat angles P-C4'-P energy: -107.466 tors. eta vs tors. theta energy: -141.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -2211.945583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.945583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.945583 (E_RNA) where: Base-Base interactions energy: -1531.552 where: short stacking energy: -531.574 Base-Backbone interact. energy: 18.653 local terms energy: -699.047177 where: bonds (distance) C4'-P energy: -67.368 bonds (distance) P-C4' energy: -215.020 flat angles C4'-P-C4' energy: -167.196 flat angles P-C4'-P energy: -107.466 tors. eta vs tors. theta energy: -141.998 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: 1 Temperature: 1.300000 Total energy: -2211.945583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.945583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.945583 (E_RNA) where: Base-Base interactions energy: -1531.552 where: short stacking energy: -531.574 Base-Backbone interact. energy: 18.653 local terms energy: -699.047177 where: bonds (distance) C4'-P energy: -67.368 bonds (distance) P-C4' energy: -215.020 flat angles C4'-P-C4' energy: -167.196 flat angles P-C4'-P energy: -107.466 tors. eta vs tors. theta energy: -141.998 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: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -2211.945583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.945583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.945583 (E_RNA) where: Base-Base interactions energy: -1531.552 where: short stacking energy: -531.574 Base-Backbone interact. energy: 18.653 local terms energy: -699.047177 where: bonds (distance) C4'-P energy: -67.368 bonds (distance) P-C4' energy: -215.020 flat angles C4'-P-C4' energy: -167.196 flat angles P-C4'-P energy: -107.466 tors. eta vs tors. theta energy: -141.998 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: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -2764.478024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.478024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.478024 (E_RNA) where: Base-Base interactions energy: -1959.535 where: short stacking energy: -732.987 Base-Backbone interact. energy: -10.171 local terms energy: -794.771607 where: bonds (distance) C4'-P energy: -146.683 bonds (distance) P-C4' energy: -164.838 flat angles C4'-P-C4' energy: -186.749 flat angles P-C4'-P energy: -119.938 tors. eta vs tors. theta energy: -176.563 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: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -2759.248142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.248142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.248142 (E_RNA) where: Base-Base interactions energy: -1952.589 where: short stacking energy: -734.199 Base-Backbone interact. energy: -7.579 local terms energy: -799.080288 where: bonds (distance) C4'-P energy: -157.043 bonds (distance) P-C4' energy: -175.170 flat angles C4'-P-C4' energy: -166.007 flat angles P-C4'-P energy: -121.488 tors. eta vs tors. theta energy: -179.372 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: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -2587.308111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.308111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.308111 (E_RNA) where: Base-Base interactions energy: -1789.333 where: short stacking energy: -704.203 Base-Backbone interact. energy: -5.357 local terms energy: -792.618305 where: bonds (distance) C4'-P energy: -149.391 bonds (distance) P-C4' energy: -172.875 flat angles C4'-P-C4' energy: -184.798 flat angles P-C4'-P energy: -111.550 tors. eta vs tors. theta energy: -174.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -2530.479320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.479320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.479320 (E_RNA) where: Base-Base interactions energy: -1781.012 where: short stacking energy: -677.743 Base-Backbone interact. energy: -8.348 local terms energy: -741.119772 where: bonds (distance) C4'-P energy: -146.116 bonds (distance) P-C4' energy: -146.573 flat angles C4'-P-C4' energy: -168.307 flat angles P-C4'-P energy: -112.894 tors. eta vs tors. theta energy: -167.230 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: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -2431.260457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.260457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.260457 (E_RNA) where: Base-Base interactions energy: -1685.527 where: short stacking energy: -686.321 Base-Backbone interact. energy: -4.358 local terms energy: -741.375353 where: bonds (distance) C4'-P energy: -135.897 bonds (distance) P-C4' energy: -157.444 flat angles C4'-P-C4' energy: -165.890 flat angles P-C4'-P energy: -114.564 tors. eta vs tors. theta energy: -167.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -2344.633087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.633087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.633087 (E_RNA) where: Base-Base interactions energy: -1674.014 where: short stacking energy: -626.706 Base-Backbone interact. energy: 0.670 local terms energy: -671.288481 where: bonds (distance) C4'-P energy: -112.834 bonds (distance) P-C4' energy: -142.016 flat angles C4'-P-C4' energy: -175.037 flat angles P-C4'-P energy: -99.405 tors. eta vs tors. theta energy: -141.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -2286.583100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.583100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.583100 (E_RNA) where: Base-Base interactions energy: -1631.558 where: short stacking energy: -663.813 Base-Backbone interact. energy: 2.838 local terms energy: -657.863512 where: bonds (distance) C4'-P energy: -102.738 bonds (distance) P-C4' energy: -143.410 flat angles C4'-P-C4' energy: -149.963 flat angles P-C4'-P energy: -106.514 tors. eta vs tors. theta energy: -155.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -2213.602068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.602068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.602068 (E_RNA) where: Base-Base interactions energy: -1531.662 where: short stacking energy: -534.600 Base-Backbone interact. energy: 14.191 local terms energy: -696.131433 where: bonds (distance) C4'-P energy: -67.127 bonds (distance) P-C4' energy: -209.908 flat angles C4'-P-C4' energy: -170.026 flat angles P-C4'-P energy: -106.609 tors. eta vs tors. theta energy: -142.462 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: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -2213.467495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.467495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.467495 (E_RNA) where: Base-Base interactions energy: -1533.957 where: short stacking energy: -533.288 Base-Backbone interact. energy: 18.648 local terms energy: -698.158684 where: bonds (distance) C4'-P energy: -67.004 bonds (distance) P-C4' energy: -215.013 flat angles C4'-P-C4' energy: -166.172 flat angles P-C4'-P energy: -107.924 tors. eta vs tors. theta energy: -142.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -2213.195846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.195846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.195846 (E_RNA) where: Base-Base interactions energy: -1533.685 where: short stacking energy: -533.290 Base-Backbone interact. energy: 18.648 local terms energy: -698.158684 where: bonds (distance) C4'-P energy: -67.004 bonds (distance) P-C4' energy: -215.013 flat angles C4'-P-C4' energy: -166.172 flat angles P-C4'-P energy: -107.924 tors. eta vs tors. theta energy: -142.045 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: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -2760.968637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.968637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.968637 (E_RNA) where: Base-Base interactions energy: -1917.508 where: short stacking energy: -716.071 Base-Backbone interact. energy: 0.269 local terms energy: -843.730098 where: bonds (distance) C4'-P energy: -160.977 bonds (distance) P-C4' energy: -188.546 flat angles C4'-P-C4' energy: -181.184 flat angles P-C4'-P energy: -133.883 tors. eta vs tors. theta energy: -179.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -2734.163740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.163740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.163740 (E_RNA) where: Base-Base interactions energy: -1961.956 where: short stacking energy: -746.501 Base-Backbone interact. energy: -8.484 local terms energy: -763.723769 where: bonds (distance) C4'-P energy: -150.746 bonds (distance) P-C4' energy: -152.028 flat angles C4'-P-C4' energy: -172.078 flat angles P-C4'-P energy: -109.500 tors. eta vs tors. theta energy: -179.372 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: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -2669.109609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.109609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.109609 (E_RNA) where: Base-Base interactions energy: -1845.196 where: short stacking energy: -755.061 Base-Backbone interact. energy: -7.829 local terms energy: -816.084742 where: bonds (distance) C4'-P energy: -159.017 bonds (distance) P-C4' energy: -174.151 flat angles C4'-P-C4' energy: -173.441 flat angles P-C4'-P energy: -124.972 tors. eta vs tors. theta energy: -184.503 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: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -2535.671754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.671754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.671754 (E_RNA) where: Base-Base interactions energy: -1749.736 where: short stacking energy: -678.618 Base-Backbone interact. energy: -1.218 local terms energy: -784.717380 where: bonds (distance) C4'-P energy: -151.757 bonds (distance) P-C4' energy: -164.848 flat angles C4'-P-C4' energy: -176.330 flat angles P-C4'-P energy: -108.529 tors. eta vs tors. theta energy: -183.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -2499.095470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.095470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.095470 (E_RNA) where: Base-Base interactions energy: -1751.083 where: short stacking energy: -705.635 Base-Backbone interact. energy: -7.349 local terms energy: -740.664016 where: bonds (distance) C4'-P energy: -137.228 bonds (distance) P-C4' energy: -154.341 flat angles C4'-P-C4' energy: -165.707 flat angles P-C4'-P energy: -108.000 tors. eta vs tors. theta energy: -175.388 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: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -2405.363152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.363152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.363152 (E_RNA) where: Base-Base interactions energy: -1694.525 where: short stacking energy: -690.888 Base-Backbone interact. energy: 2.231 local terms energy: -713.069688 where: bonds (distance) C4'-P energy: -131.757 bonds (distance) P-C4' energy: -145.636 flat angles C4'-P-C4' energy: -151.939 flat angles P-C4'-P energy: -107.674 tors. eta vs tors. theta energy: -176.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -2278.851140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.851140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.851140 (E_RNA) where: Base-Base interactions energy: -1580.722 where: short stacking energy: -636.154 Base-Backbone interact. energy: -3.419 local terms energy: -694.710396 where: bonds (distance) C4'-P energy: -117.004 bonds (distance) P-C4' energy: -157.245 flat angles C4'-P-C4' energy: -155.850 flat angles P-C4'-P energy: -112.788 tors. eta vs tors. theta energy: -151.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -2231.060044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.060044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.060044 (E_RNA) where: Base-Base interactions energy: -1563.604 where: short stacking energy: -622.960 Base-Backbone interact. energy: -4.356 local terms energy: -663.100007 where: bonds (distance) C4'-P energy: -128.466 bonds (distance) P-C4' energy: -140.196 flat angles C4'-P-C4' energy: -155.842 flat angles P-C4'-P energy: -92.912 tors. eta vs tors. theta energy: -145.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -2074.571530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.571530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.571530 (E_RNA) where: Base-Base interactions energy: -1440.667 where: short stacking energy: -595.865 Base-Backbone interact. energy: -2.463 local terms energy: -631.441509 where: bonds (distance) C4'-P energy: -115.001 bonds (distance) P-C4' energy: -131.808 flat angles C4'-P-C4' energy: -144.745 flat angles P-C4'-P energy: -103.901 tors. eta vs tors. theta energy: -135.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -1837.581092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.581092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.581092 (E_RNA) where: Base-Base interactions energy: -1315.051 where: short stacking energy: -517.518 Base-Backbone interact. energy: -2.232 local terms energy: -520.297840 where: bonds (distance) C4'-P energy: -127.552 bonds (distance) P-C4' energy: -115.729 flat angles C4'-P-C4' energy: -116.735 flat angles P-C4'-P energy: -56.642 tors. eta vs tors. theta energy: -103.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -2784.629490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.629490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.629490 (E_RNA) where: Base-Base interactions energy: -1959.021 where: short stacking energy: -746.194 Base-Backbone interact. energy: -6.371 local terms energy: -819.237689 where: bonds (distance) C4'-P energy: -153.865 bonds (distance) P-C4' energy: -179.352 flat angles C4'-P-C4' energy: -173.176 flat angles P-C4'-P energy: -119.234 tors. eta vs tors. theta energy: -193.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -2688.003729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.003729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.003729 (E_RNA) where: Base-Base interactions energy: -1885.754 where: short stacking energy: -741.264 Base-Backbone interact. energy: -4.212 local terms energy: -798.037924 where: bonds (distance) C4'-P energy: -160.477 bonds (distance) P-C4' energy: -170.951 flat angles C4'-P-C4' energy: -169.614 flat angles P-C4'-P energy: -111.669 tors. eta vs tors. theta energy: -185.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -2692.039809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.039809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.039809 (E_RNA) where: Base-Base interactions energy: -1906.544 where: short stacking energy: -734.839 Base-Backbone interact. energy: -6.999 local terms energy: -778.496595 where: bonds (distance) C4'-P energy: -153.914 bonds (distance) P-C4' energy: -138.060 flat angles C4'-P-C4' energy: -177.845 flat angles P-C4'-P energy: -107.198 tors. eta vs tors. theta energy: -201.479 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: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -2584.180119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.180119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.180119 (E_RNA) where: Base-Base interactions energy: -1852.634 where: short stacking energy: -679.611 Base-Backbone interact. energy: -5.741 local terms energy: -725.805842 where: bonds (distance) C4'-P energy: -137.209 bonds (distance) P-C4' energy: -152.475 flat angles C4'-P-C4' energy: -168.530 flat angles P-C4'-P energy: -103.394 tors. eta vs tors. theta energy: -164.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -2524.822046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.822046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.822046 (E_RNA) where: Base-Base interactions energy: -1750.311 where: short stacking energy: -735.471 Base-Backbone interact. energy: 1.118 local terms energy: -775.629431 where: bonds (distance) C4'-P energy: -155.019 bonds (distance) P-C4' energy: -146.000 flat angles C4'-P-C4' energy: -162.543 flat angles P-C4'-P energy: -112.026 tors. eta vs tors. theta energy: -200.041 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: 5 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -2443.266625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.266625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.266625 (E_RNA) where: Base-Base interactions energy: -1697.918 where: short stacking energy: -679.651 Base-Backbone interact. energy: -2.990 local terms energy: -742.358785 where: bonds (distance) C4'-P energy: -135.240 bonds (distance) P-C4' energy: -160.987 flat angles C4'-P-C4' energy: -170.480 flat angles P-C4'-P energy: -104.628 tors. eta vs tors. theta energy: -171.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -2318.578439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.578439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.578439 (E_RNA) where: Base-Base interactions energy: -1629.790 where: short stacking energy: -648.535 Base-Backbone interact. energy: -1.772 local terms energy: -687.015916 where: bonds (distance) C4'-P energy: -123.620 bonds (distance) P-C4' energy: -137.442 flat angles C4'-P-C4' energy: -156.866 flat angles P-C4'-P energy: -97.430 tors. eta vs tors. theta energy: -171.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -2160.364855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.364855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.364855 (E_RNA) where: Base-Base interactions energy: -1520.985 where: short stacking energy: -621.261 Base-Backbone interact. energy: 2.697 local terms energy: -642.076773 where: bonds (distance) C4'-P energy: -127.708 bonds (distance) P-C4' energy: -156.563 flat angles C4'-P-C4' energy: -118.790 flat angles P-C4'-P energy: -78.913 tors. eta vs tors. theta energy: -160.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -2063.547614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.547614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.547614 (E_RNA) where: Base-Base interactions energy: -1442.027 where: short stacking energy: -566.300 Base-Backbone interact. energy: 1.063 local terms energy: -622.583356 where: bonds (distance) C4'-P energy: -131.302 bonds (distance) P-C4' energy: -133.304 flat angles C4'-P-C4' energy: -131.474 flat angles P-C4'-P energy: -91.328 tors. eta vs tors. theta energy: -135.176 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: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -1713.267570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.267570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.267570 (E_RNA) where: Base-Base interactions energy: -1182.567 where: short stacking energy: -500.420 Base-Backbone interact. energy: 16.063 local terms energy: -546.763031 where: bonds (distance) C4'-P energy: -124.208 bonds (distance) P-C4' energy: -140.175 flat angles C4'-P-C4' energy: -130.188 flat angles P-C4'-P energy: -61.811 tors. eta vs tors. theta energy: -90.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -2803.755042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.755042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.755042 (E_RNA) where: Base-Base interactions energy: -1951.802 where: short stacking energy: -779.948 Base-Backbone interact. energy: -4.308 local terms energy: -847.644577 where: bonds (distance) C4'-P energy: -160.908 bonds (distance) P-C4' energy: -174.947 flat angles C4'-P-C4' energy: -176.903 flat angles P-C4'-P energy: -131.614 tors. eta vs tors. theta energy: -203.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -2773.356755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.356755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.356755 (E_RNA) where: Base-Base interactions energy: -1977.042 where: short stacking energy: -790.655 Base-Backbone interact. energy: -0.999 local terms energy: -795.315827 where: bonds (distance) C4'-P energy: -155.907 bonds (distance) P-C4' energy: -164.480 flat angles C4'-P-C4' energy: -173.838 flat angles P-C4'-P energy: -109.826 tors. eta vs tors. theta energy: -191.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -2614.479503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.479503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.479503 (E_RNA) where: Base-Base interactions energy: -1844.498 where: short stacking energy: -735.619 Base-Backbone interact. energy: -6.075 local terms energy: -763.905691 where: bonds (distance) C4'-P energy: -156.135 bonds (distance) P-C4' energy: -153.858 flat angles C4'-P-C4' energy: -171.795 flat angles P-C4'-P energy: -109.832 tors. eta vs tors. theta energy: -172.286 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: 7 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -2601.320214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.320214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.320214 (E_RNA) where: Base-Base interactions energy: -1798.346 where: short stacking energy: -742.908 Base-Backbone interact. energy: -5.303 local terms energy: -797.671945 where: bonds (distance) C4'-P energy: -148.072 bonds (distance) P-C4' energy: -161.839 flat angles C4'-P-C4' energy: -167.030 flat angles P-C4'-P energy: -121.952 tors. eta vs tors. theta energy: -198.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -2491.003073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.003073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.003073 (E_RNA) where: Base-Base interactions energy: -1772.802 where: short stacking energy: -702.925 Base-Backbone interact. energy: -2.798 local terms energy: -715.403538 where: bonds (distance) C4'-P energy: -136.866 bonds (distance) P-C4' energy: -133.690 flat angles C4'-P-C4' energy: -155.780 flat angles P-C4'-P energy: -109.685 tors. eta vs tors. theta energy: -179.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -2424.314793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.314793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.314793 (E_RNA) where: Base-Base interactions energy: -1715.631 where: short stacking energy: -699.898 Base-Backbone interact. energy: -2.753 local terms energy: -705.931689 where: bonds (distance) C4'-P energy: -122.403 bonds (distance) P-C4' energy: -142.884 flat angles C4'-P-C4' energy: -168.887 flat angles P-C4'-P energy: -91.371 tors. eta vs tors. theta energy: -180.386 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: 5 Temperature: 1.200000 Total energy: -2361.284799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.284799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.284799 (E_RNA) where: Base-Base interactions energy: -1672.921 where: short stacking energy: -671.652 Base-Backbone interact. energy: 2.388 local terms energy: -690.752467 where: bonds (distance) C4'-P energy: -102.412 bonds (distance) P-C4' energy: -147.124 flat angles C4'-P-C4' energy: -162.633 flat angles P-C4'-P energy: -90.482 tors. eta vs tors. theta energy: -188.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -2142.371714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.371714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.371714 (E_RNA) where: Base-Base interactions energy: -1504.643 where: short stacking energy: -609.234 Base-Backbone interact. energy: 2.812 local terms energy: -640.541274 where: bonds (distance) C4'-P energy: -131.501 bonds (distance) P-C4' energy: -128.680 flat angles C4'-P-C4' energy: -139.820 flat angles P-C4'-P energy: -105.516 tors. eta vs tors. theta energy: -135.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -1967.818175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.818175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.818175 (E_RNA) where: Base-Base interactions energy: -1370.394 where: short stacking energy: -535.402 Base-Backbone interact. energy: -2.492 local terms energy: -594.932719 where: bonds (distance) C4'-P energy: -131.575 bonds (distance) P-C4' energy: -129.437 flat angles C4'-P-C4' energy: -124.206 flat angles P-C4'-P energy: -88.644 tors. eta vs tors. theta energy: -121.071 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: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -1555.625892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.625892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.625892 (E_RNA) where: Base-Base interactions energy: -1028.636 where: short stacking energy: -428.214 Base-Backbone interact. energy: 4.349 local terms energy: -531.338882 where: bonds (distance) C4'-P energy: -120.395 bonds (distance) P-C4' energy: -148.329 flat angles C4'-P-C4' energy: -132.977 flat angles P-C4'-P energy: -63.922 tors. eta vs tors. theta energy: -65.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -2808.632338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.632338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.632338 (E_RNA) where: Base-Base interactions energy: -1952.182 where: short stacking energy: -764.582 Base-Backbone interact. energy: -5.665 local terms energy: -850.784851 where: bonds (distance) C4'-P energy: -169.103 bonds (distance) P-C4' energy: -170.110 flat angles C4'-P-C4' energy: -190.451 flat angles P-C4'-P energy: -125.476 tors. eta vs tors. theta energy: -195.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -2774.829748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.829748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.829748 (E_RNA) where: Base-Base interactions energy: -1965.302 where: short stacking energy: -777.480 Base-Backbone interact. energy: -2.674 local terms energy: -806.853483 where: bonds (distance) C4'-P energy: -143.986 bonds (distance) P-C4' energy: -150.653 flat angles C4'-P-C4' energy: -187.957 flat angles P-C4'-P energy: -123.143 tors. eta vs tors. theta energy: -201.114 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: 7 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -2696.393927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.393927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.393927 (E_RNA) where: Base-Base interactions energy: -1894.239 where: short stacking energy: -780.740 Base-Backbone interact. energy: -4.499 local terms energy: -797.655184 where: bonds (distance) C4'-P energy: -146.597 bonds (distance) P-C4' energy: -155.072 flat angles C4'-P-C4' energy: -165.291 flat angles P-C4'-P energy: -124.983 tors. eta vs tors. theta energy: -205.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -2561.819445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.819445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.819445 (E_RNA) where: Base-Base interactions energy: -1804.638 where: short stacking energy: -726.882 Base-Backbone interact. energy: -4.859 local terms energy: -752.323318 where: bonds (distance) C4'-P energy: -145.593 bonds (distance) P-C4' energy: -163.005 flat angles C4'-P-C4' energy: -163.472 flat angles P-C4'-P energy: -112.417 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: 5, replica: 4 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -2503.873330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.873330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.873330 (E_RNA) where: Base-Base interactions energy: -1749.564 where: short stacking energy: -756.458 Base-Backbone interact. energy: -1.363 local terms energy: -752.945915 where: bonds (distance) C4'-P energy: -143.859 bonds (distance) P-C4' energy: -131.001 flat angles C4'-P-C4' energy: -169.881 flat angles P-C4'-P energy: -115.077 tors. eta vs tors. theta energy: -193.128 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: 5 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -2421.746757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.746757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.746757 (E_RNA) where: Base-Base interactions energy: -1729.777 where: short stacking energy: -689.026 Base-Backbone interact. energy: -3.137 local terms energy: -688.833238 where: bonds (distance) C4'-P energy: -135.394 bonds (distance) P-C4' energy: -135.358 flat angles C4'-P-C4' energy: -153.837 flat angles P-C4'-P energy: -103.233 tors. eta vs tors. theta energy: -161.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -2402.031806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.031806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.031806 (E_RNA) where: Base-Base interactions energy: -1663.638 where: short stacking energy: -673.329 Base-Backbone interact. energy: 3.878 local terms energy: -742.271598 where: bonds (distance) C4'-P energy: -141.094 bonds (distance) P-C4' energy: -158.230 flat angles C4'-P-C4' energy: -151.638 flat angles P-C4'-P energy: -95.189 tors. eta vs tors. theta energy: -196.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -2114.987041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.987041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.987041 (E_RNA) where: Base-Base interactions energy: -1468.784 where: short stacking energy: -599.685 Base-Backbone interact. energy: -2.948 local terms energy: -643.254245 where: bonds (distance) C4'-P energy: -118.278 bonds (distance) P-C4' energy: -165.011 flat angles C4'-P-C4' energy: -131.076 flat angles P-C4'-P energy: -90.278 tors. eta vs tors. theta energy: -138.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -1828.275193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.275193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.275193 (E_RNA) where: Base-Base interactions energy: -1257.715 where: short stacking energy: -493.763 Base-Backbone interact. energy: -0.817 local terms energy: -569.742878 where: bonds (distance) C4'-P energy: -114.452 bonds (distance) P-C4' energy: -126.480 flat angles C4'-P-C4' energy: -148.936 flat angles P-C4'-P energy: -97.720 tors. eta vs tors. theta energy: -82.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -1530.615478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.615478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.615478 (E_RNA) where: Base-Base interactions energy: -999.829 where: short stacking energy: -402.553 Base-Backbone interact. energy: -1.515 local terms energy: -529.271281 where: bonds (distance) C4'-P energy: -122.315 bonds (distance) P-C4' energy: -125.214 flat angles C4'-P-C4' energy: -117.481 flat angles P-C4'-P energy: -83.290 tors. eta vs tors. theta energy: -80.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -2839.607002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.607002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.607002 (E_RNA) where: Base-Base interactions energy: -2001.505 where: short stacking energy: -788.302 Base-Backbone interact. energy: -4.752 local terms energy: -833.350162 where: bonds (distance) C4'-P energy: -153.716 bonds (distance) P-C4' energy: -166.768 flat angles C4'-P-C4' energy: -171.147 flat angles P-C4'-P energy: -138.775 tors. eta vs tors. theta energy: -202.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -2793.387804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.387804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.387804 (E_RNA) where: Base-Base interactions energy: -1967.521 where: short stacking energy: -800.411 Base-Backbone interact. energy: -9.430 local terms energy: -816.437206 where: bonds (distance) C4'-P energy: -144.638 bonds (distance) P-C4' energy: -161.832 flat angles C4'-P-C4' energy: -185.988 flat angles P-C4'-P energy: -115.637 tors. eta vs tors. theta energy: -208.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -2691.616100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.616100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.616100 (E_RNA) where: Base-Base interactions energy: -1865.941 where: short stacking energy: -746.630 Base-Backbone interact. energy: -3.501 local terms energy: -822.173992 where: bonds (distance) C4'-P energy: -136.018 bonds (distance) P-C4' energy: -173.615 flat angles C4'-P-C4' energy: -183.413 flat angles P-C4'-P energy: -118.790 tors. eta vs tors. theta energy: -210.337 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: 7 Temperature: 1.050000 Total energy: -2606.769320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.769320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.769320 (E_RNA) where: Base-Base interactions energy: -1822.177 where: short stacking energy: -762.919 Base-Backbone interact. energy: -3.474 local terms energy: -781.118528 where: bonds (distance) C4'-P energy: -121.647 bonds (distance) P-C4' energy: -160.390 flat angles C4'-P-C4' energy: -177.998 flat angles P-C4'-P energy: -113.530 tors. eta vs tors. theta energy: -207.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -2471.335515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.335515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.335515 (E_RNA) where: Base-Base interactions energy: -1741.995 where: short stacking energy: -665.268 Base-Backbone interact. energy: -0.143 local terms energy: -729.198093 where: bonds (distance) C4'-P energy: -150.757 bonds (distance) P-C4' energy: -163.922 flat angles C4'-P-C4' energy: -153.229 flat angles P-C4'-P energy: -96.570 tors. eta vs tors. theta energy: -164.720 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: 5 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -2467.432336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.432336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.432336 (E_RNA) where: Base-Base interactions energy: -1747.216 where: short stacking energy: -697.777 Base-Backbone interact. energy: -3.637 local terms energy: -716.579534 where: bonds (distance) C4'-P energy: -144.759 bonds (distance) P-C4' energy: -141.063 flat angles C4'-P-C4' energy: -172.057 flat angles P-C4'-P energy: -85.464 tors. eta vs tors. theta energy: -173.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -2340.871457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.871457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.871457 (E_RNA) where: Base-Base interactions energy: -1633.216 where: short stacking energy: -639.754 Base-Backbone interact. energy: -3.564 local terms energy: -704.091477 where: bonds (distance) C4'-P energy: -135.332 bonds (distance) P-C4' energy: -135.130 flat angles C4'-P-C4' energy: -156.106 flat angles P-C4'-P energy: -108.373 tors. eta vs tors. theta energy: -169.150 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: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -2113.519139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.519139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.519139 (E_RNA) where: Base-Base interactions energy: -1442.023 where: short stacking energy: -574.128 Base-Backbone interact. energy: 3.400 local terms energy: -674.895886 where: bonds (distance) C4'-P energy: -137.308 bonds (distance) P-C4' energy: -162.253 flat angles C4'-P-C4' energy: -142.153 flat angles P-C4'-P energy: -104.803 tors. eta vs tors. theta energy: -128.380 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: 9 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -1711.049582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.049582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.049582 (E_RNA) where: Base-Base interactions energy: -1179.277 where: short stacking energy: -484.215 Base-Backbone interact. energy: -2.877 local terms energy: -528.894823 where: bonds (distance) C4'-P energy: -109.948 bonds (distance) P-C4' energy: -138.547 flat angles C4'-P-C4' energy: -114.135 flat angles P-C4'-P energy: -74.212 tors. eta vs tors. theta energy: -92.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -1468.547472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.547472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.547472 (E_RNA) where: Base-Base interactions energy: -940.623 where: short stacking energy: -406.543 Base-Backbone interact. energy: -2.034 local terms energy: -525.891051 where: bonds (distance) C4'-P energy: -136.504 bonds (distance) P-C4' energy: -154.758 flat angles C4'-P-C4' energy: -117.711 flat angles P-C4'-P energy: -61.125 tors. eta vs tors. theta energy: -55.792 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: 1, replica: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -2882.436496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.436496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.436496 (E_RNA) where: Base-Base interactions energy: -2055.196 where: short stacking energy: -807.730 Base-Backbone interact. energy: -0.908 local terms energy: -826.332065 where: bonds (distance) C4'-P energy: -154.773 bonds (distance) P-C4' energy: -176.564 flat angles C4'-P-C4' energy: -176.029 flat angles P-C4'-P energy: -117.242 tors. eta vs tors. theta energy: -201.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -2804.457725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.457725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.457725 (E_RNA) where: Base-Base interactions energy: -1994.437 where: short stacking energy: -796.539 Base-Backbone interact. energy: -5.647 local terms energy: -804.373786 where: bonds (distance) C4'-P energy: -152.066 bonds (distance) P-C4' energy: -156.636 flat angles C4'-P-C4' energy: -173.849 flat angles P-C4'-P energy: -129.303 tors. eta vs tors. theta energy: -192.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -2682.979142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.979142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.979142 (E_RNA) where: Base-Base interactions energy: -1865.068 where: short stacking energy: -775.849 Base-Backbone interact. energy: -6.689 local terms energy: -811.222134 where: bonds (distance) C4'-P energy: -154.686 bonds (distance) P-C4' energy: -161.924 flat angles C4'-P-C4' energy: -164.949 flat angles P-C4'-P energy: -122.477 tors. eta vs tors. theta energy: -207.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -2573.884063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.884063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.884063 (E_RNA) where: Base-Base interactions energy: -1829.632 where: short stacking energy: -760.967 Base-Backbone interact. energy: -5.478 local terms energy: -738.774214 where: bonds (distance) C4'-P energy: -133.877 bonds (distance) P-C4' energy: -149.451 flat angles C4'-P-C4' energy: -161.881 flat angles P-C4'-P energy: -105.655 tors. eta vs tors. theta energy: -187.909 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: 5 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -2469.790411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.790411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.790411 (E_RNA) where: Base-Base interactions energy: -1714.339 where: short stacking energy: -703.674 Base-Backbone interact. energy: -6.979 local terms energy: -748.471933 where: bonds (distance) C4'-P energy: -138.123 bonds (distance) P-C4' energy: -154.232 flat angles C4'-P-C4' energy: -171.436 flat angles P-C4'-P energy: -107.307 tors. eta vs tors. theta energy: -177.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -2330.968734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.968734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.968734 (E_RNA) where: Base-Base interactions energy: -1659.274 where: short stacking energy: -639.062 Base-Backbone interact. energy: 1.824 local terms energy: -673.518531 where: bonds (distance) C4'-P energy: -126.332 bonds (distance) P-C4' energy: -137.438 flat angles C4'-P-C4' energy: -149.027 flat angles P-C4'-P energy: -104.883 tors. eta vs tors. theta energy: -155.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -2315.703858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.703858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.703858 (E_RNA) where: Base-Base interactions energy: -1638.631 where: short stacking energy: -663.760 Base-Backbone interact. energy: -1.404 local terms energy: -675.669007 where: bonds (distance) C4'-P energy: -117.285 bonds (distance) P-C4' energy: -146.124 flat angles C4'-P-C4' energy: -168.213 flat angles P-C4'-P energy: -67.077 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: 8, replica: 8 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -2134.053710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.053710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.053710 (E_RNA) where: Base-Base interactions energy: -1456.995 where: short stacking energy: -599.716 Base-Backbone interact. energy: -2.980 local terms energy: -674.078472 where: bonds (distance) C4'-P energy: -150.162 bonds (distance) P-C4' energy: -134.473 flat angles C4'-P-C4' energy: -141.746 flat angles P-C4'-P energy: -91.496 tors. eta vs tors. theta energy: -156.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -1733.543118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.543118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.543118 (E_RNA) where: Base-Base interactions energy: -1187.593 where: short stacking energy: -459.390 Base-Backbone interact. energy: 4.438 local terms energy: -550.388680 where: bonds (distance) C4'-P energy: -110.510 bonds (distance) P-C4' energy: -151.387 flat angles C4'-P-C4' energy: -120.109 flat angles P-C4'-P energy: -78.801 tors. eta vs tors. theta energy: -89.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -1422.655243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.655243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.655243 (E_RNA) where: Base-Base interactions energy: -912.970 where: short stacking energy: -384.419 Base-Backbone interact. energy: -6.975 local terms energy: -502.710422 where: bonds (distance) C4'-P energy: -122.180 bonds (distance) P-C4' energy: -145.657 flat angles C4'-P-C4' energy: -124.367 flat angles P-C4'-P energy: -57.328 tors. eta vs tors. theta energy: -53.179 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: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -2827.986780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.986780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.986780 (E_RNA) where: Base-Base interactions energy: -1985.174 where: short stacking energy: -793.172 Base-Backbone interact. energy: -7.401 local terms energy: -835.411780 where: bonds (distance) C4'-P energy: -140.536 bonds (distance) P-C4' energy: -171.261 flat angles C4'-P-C4' energy: -192.396 flat angles P-C4'-P energy: -134.551 tors. eta vs tors. theta energy: -196.668 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: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -2810.088162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.088162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.088162 (E_RNA) where: Base-Base interactions energy: -1985.281 where: short stacking energy: -789.623 Base-Backbone interact. energy: -4.174 local terms energy: -820.633664 where: bonds (distance) C4'-P energy: -156.903 bonds (distance) P-C4' energy: -150.594 flat angles C4'-P-C4' energy: -173.509 flat angles P-C4'-P energy: -124.427 tors. eta vs tors. theta energy: -215.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -2760.052723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.052723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.052723 (E_RNA) where: Base-Base interactions energy: -1932.738 where: short stacking energy: -804.318 Base-Backbone interact. energy: -3.932 local terms energy: -823.382741 where: bonds (distance) C4'-P energy: -146.620 bonds (distance) P-C4' energy: -158.415 flat angles C4'-P-C4' energy: -183.043 flat angles P-C4'-P energy: -121.882 tors. eta vs tors. theta energy: -213.422 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: 4, replica: 4 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -2623.090585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.090585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.090585 (E_RNA) where: Base-Base interactions energy: -1838.197 where: short stacking energy: -734.773 Base-Backbone interact. energy: -4.464 local terms energy: -780.430172 where: bonds (distance) C4'-P energy: -143.088 bonds (distance) P-C4' energy: -152.339 flat angles C4'-P-C4' energy: -167.853 flat angles P-C4'-P energy: -108.954 tors. eta vs tors. theta energy: -208.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -2487.486644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.486644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.486644 (E_RNA) where: Base-Base interactions energy: -1734.440 where: short stacking energy: -700.550 Base-Backbone interact. energy: -4.696 local terms energy: -748.351078 where: bonds (distance) C4'-P energy: -128.481 bonds (distance) P-C4' energy: -159.427 flat angles C4'-P-C4' energy: -164.921 flat angles P-C4'-P energy: -115.271 tors. eta vs tors. theta energy: -180.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -2308.661512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.661512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.661512 (E_RNA) where: Base-Base interactions energy: -1644.971 where: short stacking energy: -659.121 Base-Backbone interact. energy: 0.903 local terms energy: -664.593093 where: bonds (distance) C4'-P energy: -141.380 bonds (distance) P-C4' energy: -144.565 flat angles C4'-P-C4' energy: -146.073 flat angles P-C4'-P energy: -85.525 tors. eta vs tors. theta energy: -147.051 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: 6 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -2297.159419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.159419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.159419 (E_RNA) where: Base-Base interactions energy: -1637.071 where: short stacking energy: -644.672 Base-Backbone interact. energy: -5.109 local terms energy: -654.979224 where: bonds (distance) C4'-P energy: -120.824 bonds (distance) P-C4' energy: -126.326 flat angles C4'-P-C4' energy: -154.302 flat angles P-C4'-P energy: -89.172 tors. eta vs tors. theta energy: -164.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -2142.962948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.962948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.962948 (E_RNA) where: Base-Base interactions energy: -1503.008 where: short stacking energy: -600.299 Base-Backbone interact. energy: 7.198 local terms energy: -647.152885 where: bonds (distance) C4'-P energy: -121.712 bonds (distance) P-C4' energy: -143.750 flat angles C4'-P-C4' energy: -146.045 flat angles P-C4'-P energy: -83.417 tors. eta vs tors. theta energy: -152.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -1772.573410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.573410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.573410 (E_RNA) where: Base-Base interactions energy: -1194.920 where: short stacking energy: -474.875 Base-Backbone interact. energy: -1.394 local terms energy: -576.259378 where: bonds (distance) C4'-P energy: -133.296 bonds (distance) P-C4' energy: -122.320 flat angles C4'-P-C4' energy: -128.816 flat angles P-C4'-P energy: -98.901 tors. eta vs tors. theta energy: -92.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -1327.499739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.499739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.499739 (E_RNA) where: Base-Base interactions energy: -817.134 where: short stacking energy: -350.237 Base-Backbone interact. energy: 4.478 local terms energy: -514.843868 where: bonds (distance) C4'-P energy: -134.380 bonds (distance) P-C4' energy: -122.412 flat angles C4'-P-C4' energy: -133.531 flat angles P-C4'-P energy: -69.700 tors. eta vs tors. theta energy: -54.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -2820.551569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.551569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.551569 (E_RNA) where: Base-Base interactions energy: -1955.318 where: short stacking energy: -795.179 Base-Backbone interact. energy: -4.700 local terms energy: -860.533548 where: bonds (distance) C4'-P energy: -167.577 bonds (distance) P-C4' energy: -165.014 flat angles C4'-P-C4' energy: -182.933 flat angles P-C4'-P energy: -124.291 tors. eta vs tors. theta energy: -220.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -2772.240399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.240399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.240399 (E_RNA) where: Base-Base interactions energy: -1939.574 where: short stacking energy: -783.782 Base-Backbone interact. energy: -4.266 local terms energy: -828.400288 where: bonds (distance) C4'-P energy: -150.202 bonds (distance) P-C4' energy: -178.524 flat angles C4'-P-C4' energy: -186.434 flat angles P-C4'-P energy: -115.416 tors. eta vs tors. theta energy: -197.825 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: 7 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -2643.977439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.977439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.977439 (E_RNA) where: Base-Base interactions energy: -1832.279 where: short stacking energy: -744.398 Base-Backbone interact. energy: -5.347 local terms energy: -806.351896 where: bonds (distance) C4'-P energy: -150.736 bonds (distance) P-C4' energy: -163.019 flat angles C4'-P-C4' energy: -173.685 flat angles P-C4'-P energy: -125.387 tors. eta vs tors. theta energy: -193.525 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: 4 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -2567.239780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.239780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.239780 (E_RNA) where: Base-Base interactions energy: -1816.975 where: short stacking energy: -719.309 Base-Backbone interact. energy: -7.084 local terms energy: -743.180660 where: bonds (distance) C4'-P energy: -139.324 bonds (distance) P-C4' energy: -146.924 flat angles C4'-P-C4' energy: -165.003 flat angles P-C4'-P energy: -116.526 tors. eta vs tors. theta energy: -175.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -2515.051634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.051634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.051634 (E_RNA) where: Base-Base interactions energy: -1768.487 where: short stacking energy: -723.412 Base-Backbone interact. energy: -5.236 local terms energy: -741.329341 where: bonds (distance) C4'-P energy: -141.032 bonds (distance) P-C4' energy: -150.899 flat angles C4'-P-C4' energy: -160.858 flat angles P-C4'-P energy: -90.656 tors. eta vs tors. theta energy: -197.884 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: 10 Temperature: 1.150000 Total energy: -2319.726589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.726589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.726589 (E_RNA) where: Base-Base interactions energy: -1643.618 where: short stacking energy: -657.640 Base-Backbone interact. energy: -5.364 local terms energy: -670.744359 where: bonds (distance) C4'-P energy: -102.037 bonds (distance) P-C4' energy: -146.191 flat angles C4'-P-C4' energy: -164.022 flat angles P-C4'-P energy: -99.899 tors. eta vs tors. theta energy: -158.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -2324.703480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.703480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.703480 (E_RNA) where: Base-Base interactions energy: -1613.705 where: short stacking energy: -657.214 Base-Backbone interact. energy: -5.867 local terms energy: -705.131923 where: bonds (distance) C4'-P energy: -136.332 bonds (distance) P-C4' energy: -148.189 flat angles C4'-P-C4' energy: -164.508 flat angles P-C4'-P energy: -92.852 tors. eta vs tors. theta energy: -163.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -2052.578702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.578702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.578702 (E_RNA) where: Base-Base interactions energy: -1420.537 where: short stacking energy: -578.412 Base-Backbone interact. energy: 4.102 local terms energy: -636.143949 where: bonds (distance) C4'-P energy: -98.565 bonds (distance) P-C4' energy: -143.944 flat angles C4'-P-C4' energy: -144.140 flat angles P-C4'-P energy: -106.215 tors. eta vs tors. theta energy: -143.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -1704.344354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.344354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.344354 (E_RNA) where: Base-Base interactions energy: -1126.604 where: short stacking energy: -453.967 Base-Backbone interact. energy: -2.828 local terms energy: -574.911828 where: bonds (distance) C4'-P energy: -130.455 bonds (distance) P-C4' energy: -151.225 flat angles C4'-P-C4' energy: -147.381 flat angles P-C4'-P energy: -56.941 tors. eta vs tors. theta energy: -88.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -1321.876740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.876740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.876740 (E_RNA) where: Base-Base interactions energy: -853.622 where: short stacking energy: -381.326 Base-Backbone interact. energy: -1.347 local terms energy: -466.907738 where: bonds (distance) C4'-P energy: -102.921 bonds (distance) P-C4' energy: -128.380 flat angles C4'-P-C4' energy: -128.066 flat angles P-C4'-P energy: -75.278 tors. eta vs tors. theta energy: -32.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -2927.909932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.909932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.909932 (E_RNA) where: Base-Base interactions energy: -2054.915 where: short stacking energy: -827.352 Base-Backbone interact. energy: -4.667 local terms energy: -868.328198 where: bonds (distance) C4'-P energy: -155.613 bonds (distance) P-C4' energy: -182.568 flat angles C4'-P-C4' energy: -191.413 flat angles P-C4'-P energy: -115.098 tors. eta vs tors. theta energy: -223.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -2745.514485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.514485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.514485 (E_RNA) where: Base-Base interactions energy: -1929.870 where: short stacking energy: -781.872 Base-Backbone interact. energy: -5.002 local terms energy: -810.642064 where: bonds (distance) C4'-P energy: -158.076 bonds (distance) P-C4' energy: -165.069 flat angles C4'-P-C4' energy: -173.343 flat angles P-C4'-P energy: -114.097 tors. eta vs tors. theta energy: -200.056 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: 7 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -2667.289220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.289220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.289220 (E_RNA) where: Base-Base interactions energy: -1839.618 where: short stacking energy: -756.557 Base-Backbone interact. energy: -4.600 local terms energy: -823.070532 where: bonds (distance) C4'-P energy: -146.352 bonds (distance) P-C4' energy: -164.451 flat angles C4'-P-C4' energy: -186.323 flat angles P-C4'-P energy: -124.435 tors. eta vs tors. theta energy: -201.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -2614.955231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.955231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.955231 (E_RNA) where: Base-Base interactions energy: -1824.847 where: short stacking energy: -769.251 Base-Backbone interact. energy: -2.547 local terms energy: -787.561304 where: bonds (distance) C4'-P energy: -152.941 bonds (distance) P-C4' energy: -176.192 flat angles C4'-P-C4' energy: -167.075 flat angles P-C4'-P energy: -92.577 tors. eta vs tors. theta energy: -198.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -2530.948909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.948909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.948909 (E_RNA) where: Base-Base interactions energy: -1793.217 where: short stacking energy: -715.879 Base-Backbone interact. energy: -6.456 local terms energy: -731.275333 where: bonds (distance) C4'-P energy: -120.535 bonds (distance) P-C4' energy: -144.087 flat angles C4'-P-C4' energy: -165.977 flat angles P-C4'-P energy: -104.295 tors. eta vs tors. theta energy: -196.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -2339.741086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.741086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.741086 (E_RNA) where: Base-Base interactions energy: -1621.346 where: short stacking energy: -658.447 Base-Backbone interact. energy: -5.824 local terms energy: -712.571407 where: bonds (distance) C4'-P energy: -139.592 bonds (distance) P-C4' energy: -141.272 flat angles C4'-P-C4' energy: -174.020 flat angles P-C4'-P energy: -98.445 tors. eta vs tors. theta energy: -159.242 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: 2 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -2293.726053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.726053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.726053 (E_RNA) where: Base-Base interactions energy: -1662.764 where: short stacking energy: -661.810 Base-Backbone interact. energy: -2.184 local terms energy: -628.777526 where: bonds (distance) C4'-P energy: -120.634 bonds (distance) P-C4' energy: -126.072 flat angles C4'-P-C4' energy: -154.823 flat angles P-C4'-P energy: -95.981 tors. eta vs tors. theta energy: -131.267 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: 8 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -2116.199793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.199793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.199793 (E_RNA) where: Base-Base interactions energy: -1478.074 where: short stacking energy: -619.183 Base-Backbone interact. energy: -2.034 local terms energy: -636.092395 where: bonds (distance) C4'-P energy: -123.407 bonds (distance) P-C4' energy: -137.084 flat angles C4'-P-C4' energy: -132.979 flat angles P-C4'-P energy: -108.835 tors. eta vs tors. theta energy: -133.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -1756.176565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.176565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.176565 (E_RNA) where: Base-Base interactions energy: -1199.677 where: short stacking energy: -512.072 Base-Backbone interact. energy: -2.373 local terms energy: -554.126623 where: bonds (distance) C4'-P energy: -92.821 bonds (distance) P-C4' energy: -123.909 flat angles C4'-P-C4' energy: -147.904 flat angles P-C4'-P energy: -86.155 tors. eta vs tors. theta energy: -103.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -1284.818957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.818957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.818957 (E_RNA) where: Base-Base interactions energy: -802.042 where: short stacking energy: -386.781 Base-Backbone interact. energy: -2.302 local terms energy: -480.475030 where: bonds (distance) C4'-P energy: -127.074 bonds (distance) P-C4' energy: -129.953 flat angles C4'-P-C4' energy: -90.721 flat angles P-C4'-P energy: -70.264 tors. eta vs tors. theta energy: -62.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -2934.396067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.396067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.396067 (E_RNA) where: Base-Base interactions energy: -2063.729 where: short stacking energy: -820.438 Base-Backbone interact. energy: -5.574 local terms energy: -865.093285 where: bonds (distance) C4'-P energy: -160.560 bonds (distance) P-C4' energy: -176.607 flat angles C4'-P-C4' energy: -187.783 flat angles P-C4'-P energy: -118.201 tors. eta vs tors. theta energy: -221.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -2765.778324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.778324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.778324 (E_RNA) where: Base-Base interactions energy: -1959.597 where: short stacking energy: -765.423 Base-Backbone interact. energy: -2.373 local terms energy: -803.808304 where: bonds (distance) C4'-P energy: -150.068 bonds (distance) P-C4' energy: -151.755 flat angles C4'-P-C4' energy: -177.379 flat angles P-C4'-P energy: -129.338 tors. eta vs tors. theta energy: -195.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -2706.186845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.186845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.186845 (E_RNA) where: Base-Base interactions energy: -1908.890 where: short stacking energy: -767.426 Base-Backbone interact. energy: 0.675 local terms energy: -797.971640 where: bonds (distance) C4'-P energy: -139.003 bonds (distance) P-C4' energy: -156.894 flat angles C4'-P-C4' energy: -178.289 flat angles P-C4'-P energy: -120.267 tors. eta vs tors. theta energy: -203.518 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: 4 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -2623.407151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.407151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.407151 (E_RNA) where: Base-Base interactions energy: -1824.832 where: short stacking energy: -743.723 Base-Backbone interact. energy: -1.913 local terms energy: -796.662066 where: bonds (distance) C4'-P energy: -169.661 bonds (distance) P-C4' energy: -135.377 flat angles C4'-P-C4' energy: -182.452 flat angles P-C4'-P energy: -112.211 tors. eta vs tors. theta energy: -196.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -2573.615919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.615919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.615919 (E_RNA) where: Base-Base interactions energy: -1833.001 where: short stacking energy: -724.397 Base-Backbone interact. energy: -1.739 local terms energy: -738.875081 where: bonds (distance) C4'-P energy: -146.226 bonds (distance) P-C4' energy: -149.434 flat angles C4'-P-C4' energy: -165.658 flat angles P-C4'-P energy: -98.103 tors. eta vs tors. theta energy: -179.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -2398.358958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.358958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.358958 (E_RNA) where: Base-Base interactions energy: -1665.974 where: short stacking energy: -688.529 Base-Backbone interact. energy: -0.176 local terms energy: -732.209482 where: bonds (distance) C4'-P energy: -138.977 bonds (distance) P-C4' energy: -148.494 flat angles C4'-P-C4' energy: -164.117 flat angles P-C4'-P energy: -97.800 tors. eta vs tors. theta energy: -182.821 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: 7, replica: 2 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -2175.778705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.778705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.778705 (E_RNA) where: Base-Base interactions energy: -1486.966 where: short stacking energy: -612.709 Base-Backbone interact. energy: 1.140 local terms energy: -689.952904 where: bonds (distance) C4'-P energy: -137.033 bonds (distance) P-C4' energy: -134.765 flat angles C4'-P-C4' energy: -156.252 flat angles P-C4'-P energy: -110.857 tors. eta vs tors. theta energy: -151.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -2099.238713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.238713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.238713 (E_RNA) where: Base-Base interactions energy: -1479.916 where: short stacking energy: -562.057 Base-Backbone interact. energy: 0.512 local terms energy: -619.834528 where: bonds (distance) C4'-P energy: -112.835 bonds (distance) P-C4' energy: -146.994 flat angles C4'-P-C4' energy: -139.399 flat angles P-C4'-P energy: -84.154 tors. eta vs tors. theta energy: -136.452 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: 12 Temperature: 1.300000 Total energy: -1784.459846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.459846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.459846 (E_RNA) where: Base-Base interactions energy: -1227.747 where: short stacking energy: -500.296 Base-Backbone interact. energy: -2.030 local terms energy: -554.682777 where: bonds (distance) C4'-P energy: -119.298 bonds (distance) P-C4' energy: -130.159 flat angles C4'-P-C4' energy: -130.145 flat angles P-C4'-P energy: -85.216 tors. eta vs tors. theta energy: -89.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -1184.623382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.623382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.623382 (E_RNA) where: Base-Base interactions energy: -731.247 where: short stacking energy: -338.885 Base-Backbone interact. energy: 3.087 local terms energy: -456.463592 where: bonds (distance) C4'-P energy: -111.541 bonds (distance) P-C4' energy: -129.475 flat angles C4'-P-C4' energy: -111.734 flat angles P-C4'-P energy: -75.132 tors. eta vs tors. theta energy: -28.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -2914.484515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.484515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.484515 (E_RNA) where: Base-Base interactions energy: -2068.595 where: short stacking energy: -833.459 Base-Backbone interact. energy: -2.436 local terms energy: -843.453173 where: bonds (distance) C4'-P energy: -153.050 bonds (distance) P-C4' energy: -166.384 flat angles C4'-P-C4' energy: -175.990 flat angles P-C4'-P energy: -128.039 tors. eta vs tors. theta energy: -219.990 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: 13 Temperature: 0.950000 Total energy: -2782.706877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.706877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.706877 (E_RNA) where: Base-Base interactions energy: -1968.873 where: short stacking energy: -785.484 Base-Backbone interact. energy: -5.864 local terms energy: -807.969984 where: bonds (distance) C4'-P energy: -142.988 bonds (distance) P-C4' energy: -157.368 flat angles C4'-P-C4' energy: -189.951 flat angles P-C4'-P energy: -124.178 tors. eta vs tors. theta energy: -193.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -2680.035179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.035179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.035179 (E_RNA) where: Base-Base interactions energy: -1870.239 where: short stacking energy: -756.866 Base-Backbone interact. energy: -1.280 local terms energy: -808.516100 where: bonds (distance) C4'-P energy: -145.397 bonds (distance) P-C4' energy: -163.823 flat angles C4'-P-C4' energy: -175.936 flat angles P-C4'-P energy: -112.121 tors. eta vs tors. theta energy: -211.240 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: 4 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -2635.118342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.118342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.118342 (E_RNA) where: Base-Base interactions energy: -1848.869 where: short stacking energy: -753.522 Base-Backbone interact. energy: -2.589 local terms energy: -783.660208 where: bonds (distance) C4'-P energy: -135.774 bonds (distance) P-C4' energy: -153.766 flat angles C4'-P-C4' energy: -179.376 flat angles P-C4'-P energy: -119.486 tors. eta vs tors. theta energy: -195.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -2573.681344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.681344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.681344 (E_RNA) where: Base-Base interactions energy: -1798.169 where: short stacking energy: -736.380 Base-Backbone interact. energy: -5.022 local terms energy: -770.490280 where: bonds (distance) C4'-P energy: -126.534 bonds (distance) P-C4' energy: -155.945 flat angles C4'-P-C4' energy: -170.368 flat angles P-C4'-P energy: -120.232 tors. eta vs tors. theta energy: -197.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -2386.249944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.249944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.249944 (E_RNA) where: Base-Base interactions energy: -1638.117 where: short stacking energy: -680.976 Base-Backbone interact. energy: 3.411 local terms energy: -751.543865 where: bonds (distance) C4'-P energy: -152.201 bonds (distance) P-C4' energy: -152.084 flat angles C4'-P-C4' energy: -162.024 flat angles P-C4'-P energy: -108.349 tors. eta vs tors. theta energy: -176.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -2068.612127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.612127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.612127 (E_RNA) where: Base-Base interactions energy: -1449.018 where: short stacking energy: -584.013 Base-Backbone interact. energy: -1.945 local terms energy: -617.649371 where: bonds (distance) C4'-P energy: -129.690 bonds (distance) P-C4' energy: -120.150 flat angles C4'-P-C4' energy: -154.087 flat angles P-C4'-P energy: -93.234 tors. eta vs tors. theta energy: -120.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -2156.064427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.064427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.064427 (E_RNA) where: Base-Base interactions energy: -1474.830 where: short stacking energy: -596.945 Base-Backbone interact. energy: 0.726 local terms energy: -681.960870 where: bonds (distance) C4'-P energy: -116.314 bonds (distance) P-C4' energy: -146.914 flat angles C4'-P-C4' energy: -158.766 flat angles P-C4'-P energy: -93.831 tors. eta vs tors. theta energy: -166.136 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: 13 Temperature: 1.300000 Total energy: -1717.938250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.938250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.938250 (E_RNA) where: Base-Base interactions energy: -1144.428 where: short stacking energy: -474.259 Base-Backbone interact. energy: -1.048 local terms energy: -572.462145 where: bonds (distance) C4'-P energy: -122.499 bonds (distance) P-C4' energy: -144.150 flat angles C4'-P-C4' energy: -128.189 flat angles P-C4'-P energy: -90.791 tors. eta vs tors. theta energy: -86.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -1140.788516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.788516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.788516 (E_RNA) where: Base-Base interactions energy: -681.057 where: short stacking energy: -316.689 Base-Backbone interact. energy: 0.005 local terms energy: -459.736662 where: bonds (distance) C4'-P energy: -128.092 bonds (distance) P-C4' energy: -144.266 flat angles C4'-P-C4' energy: -116.164 flat angles P-C4'-P energy: -47.559 tors. eta vs tors. theta energy: -23.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -2943.513661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.513661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.513661 (E_RNA) where: Base-Base interactions energy: -2064.870 where: short stacking energy: -849.645 Base-Backbone interact. energy: -3.112 local terms energy: -875.531978 where: bonds (distance) C4'-P energy: -181.657 bonds (distance) P-C4' energy: -173.421 flat angles C4'-P-C4' energy: -182.073 flat angles P-C4'-P energy: -108.418 tors. eta vs tors. theta energy: -229.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -2739.613753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.613753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.613753 (E_RNA) where: Base-Base interactions energy: -1943.756 where: short stacking energy: -774.141 Base-Backbone interact. energy: -4.140 local terms energy: -791.717456 where: bonds (distance) C4'-P energy: -142.247 bonds (distance) P-C4' energy: -154.673 flat angles C4'-P-C4' energy: -168.353 flat angles P-C4'-P energy: -115.494 tors. eta vs tors. theta energy: -210.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -2722.532742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.532742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.532742 (E_RNA) where: Base-Base interactions energy: -1876.112 where: short stacking energy: -783.858 Base-Backbone interact. energy: -3.314 local terms energy: -843.107091 where: bonds (distance) C4'-P energy: -145.438 bonds (distance) P-C4' energy: -173.293 flat angles C4'-P-C4' energy: -183.595 flat angles P-C4'-P energy: -124.169 tors. eta vs tors. theta energy: -216.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -2633.543434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.543434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.543434 (E_RNA) where: Base-Base interactions energy: -1827.341 where: short stacking energy: -735.994 Base-Backbone interact. energy: -2.905 local terms energy: -803.297047 where: bonds (distance) C4'-P energy: -155.722 bonds (distance) P-C4' energy: -161.540 flat angles C4'-P-C4' energy: -173.059 flat angles P-C4'-P energy: -117.434 tors. eta vs tors. theta energy: -195.542 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: 5, replica: 5 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -2562.411935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.411935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.411935 (E_RNA) where: Base-Base interactions energy: -1807.024 where: short stacking energy: -722.181 Base-Backbone interact. energy: -0.443 local terms energy: -754.944800 where: bonds (distance) C4'-P energy: -122.983 bonds (distance) P-C4' energy: -139.751 flat angles C4'-P-C4' energy: -166.022 flat angles P-C4'-P energy: -114.885 tors. eta vs tors. theta energy: -211.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -2371.321057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.321057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.321057 (E_RNA) where: Base-Base interactions energy: -1662.329 where: short stacking energy: -722.131 Base-Backbone interact. energy: 1.306 local terms energy: -710.298529 where: bonds (distance) C4'-P energy: -123.516 bonds (distance) P-C4' energy: -154.173 flat angles C4'-P-C4' energy: -148.391 flat angles P-C4'-P energy: -99.742 tors. eta vs tors. theta energy: -184.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -2213.891849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.891849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.891849 (E_RNA) where: Base-Base interactions energy: -1516.955 where: short stacking energy: -599.101 Base-Backbone interact. energy: -5.184 local terms energy: -691.753056 where: bonds (distance) C4'-P energy: -132.461 bonds (distance) P-C4' energy: -154.806 flat angles C4'-P-C4' energy: -154.747 flat angles P-C4'-P energy: -107.681 tors. eta vs tors. theta energy: -142.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -2065.080802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.080802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.080802 (E_RNA) where: Base-Base interactions energy: -1443.159 where: short stacking energy: -574.143 Base-Backbone interact. energy: -0.044 local terms energy: -621.877503 where: bonds (distance) C4'-P energy: -120.164 bonds (distance) P-C4' energy: -137.589 flat angles C4'-P-C4' energy: -140.800 flat angles P-C4'-P energy: -94.638 tors. eta vs tors. theta energy: -128.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -1730.542066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.542066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.542066 (E_RNA) where: Base-Base interactions energy: -1153.397 where: short stacking energy: -476.216 Base-Backbone interact. energy: -0.183 local terms energy: -576.962010 where: bonds (distance) C4'-P energy: -128.516 bonds (distance) P-C4' energy: -119.716 flat angles C4'-P-C4' energy: -158.652 flat angles P-C4'-P energy: -88.258 tors. eta vs tors. theta energy: -81.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -1048.226893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.226893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.226893 (E_RNA) where: Base-Base interactions energy: -555.524 where: short stacking energy: -295.110 Base-Backbone interact. energy: 2.109 local terms energy: -494.811021 where: bonds (distance) C4'-P energy: -135.257 bonds (distance) P-C4' energy: -158.190 flat angles C4'-P-C4' energy: -137.483 flat angles P-C4'-P energy: -66.375 tors. eta vs tors. theta energy: 2.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -2940.772993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.772993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.772993 (E_RNA) where: Base-Base interactions energy: -2075.252 where: short stacking energy: -843.981 Base-Backbone interact. energy: -3.012 local terms energy: -862.509333 where: bonds (distance) C4'-P energy: -148.538 bonds (distance) P-C4' energy: -178.575 flat angles C4'-P-C4' energy: -185.185 flat angles P-C4'-P energy: -120.730 tors. eta vs tors. theta energy: -229.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -2753.778452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.778452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.778452 (E_RNA) where: Base-Base interactions energy: -1955.245 where: short stacking energy: -807.684 Base-Backbone interact. energy: -5.120 local terms energy: -793.413371 where: bonds (distance) C4'-P energy: -159.654 bonds (distance) P-C4' energy: -153.937 flat angles C4'-P-C4' energy: -169.576 flat angles P-C4'-P energy: -114.691 tors. eta vs tors. theta energy: -195.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -2722.069853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.069853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.069853 (E_RNA) where: Base-Base interactions energy: -1887.291 where: short stacking energy: -781.701 Base-Backbone interact. energy: -2.864 local terms energy: -831.915189 where: bonds (distance) C4'-P energy: -146.482 bonds (distance) P-C4' energy: -167.780 flat angles C4'-P-C4' energy: -184.288 flat angles P-C4'-P energy: -115.862 tors. eta vs tors. theta energy: -217.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -2655.647329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.647329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.647329 (E_RNA) where: Base-Base interactions energy: -1874.230 where: short stacking energy: -796.639 Base-Backbone interact. energy: -2.591 local terms energy: -778.825927 where: bonds (distance) C4'-P energy: -123.286 bonds (distance) P-C4' energy: -152.563 flat angles C4'-P-C4' energy: -174.484 flat angles P-C4'-P energy: -102.985 tors. eta vs tors. theta energy: -225.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -2542.580242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.580242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.580242 (E_RNA) where: Base-Base interactions energy: -1822.196 where: short stacking energy: -741.044 Base-Backbone interact. energy: 1.468 local terms energy: -721.852576 where: bonds (distance) C4'-P energy: -114.490 bonds (distance) P-C4' energy: -155.878 flat angles C4'-P-C4' energy: -155.514 flat angles P-C4'-P energy: -100.404 tors. eta vs tors. theta energy: -195.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -2442.962697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.962697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.962697 (E_RNA) where: Base-Base interactions energy: -1704.884 where: short stacking energy: -713.746 Base-Backbone interact. energy: 3.176 local terms energy: -741.255115 where: bonds (distance) C4'-P energy: -130.288 bonds (distance) P-C4' energy: -175.752 flat angles C4'-P-C4' energy: -152.146 flat angles P-C4'-P energy: -91.300 tors. eta vs tors. theta energy: -191.770 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: 8 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -2275.356283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.356283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.356283 (E_RNA) where: Base-Base interactions energy: -1602.580 where: short stacking energy: -670.636 Base-Backbone interact. energy: -2.733 local terms energy: -670.042947 where: bonds (distance) C4'-P energy: -101.817 bonds (distance) P-C4' energy: -149.919 flat angles C4'-P-C4' energy: -156.755 flat angles P-C4'-P energy: -84.203 tors. eta vs tors. theta energy: -177.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -1919.709500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.709500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.709500 (E_RNA) where: Base-Base interactions energy: -1322.676 where: short stacking energy: -518.698 Base-Backbone interact. energy: -1.313 local terms energy: -595.719859 where: bonds (distance) C4'-P energy: -102.008 bonds (distance) P-C4' energy: -139.247 flat angles C4'-P-C4' energy: -142.772 flat angles P-C4'-P energy: -96.126 tors. eta vs tors. theta energy: -115.567 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: 15 Temperature: 1.300000 Total energy: -1716.048569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.048569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.048569 (E_RNA) where: Base-Base interactions energy: -1106.064 where: short stacking energy: -467.012 Base-Backbone interact. energy: -1.802 local terms energy: -608.182337 where: bonds (distance) C4'-P energy: -148.461 bonds (distance) P-C4' energy: -162.505 flat angles C4'-P-C4' energy: -129.890 flat angles P-C4'-P energy: -75.683 tors. eta vs tors. theta energy: -91.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -1166.320091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.320091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.320091 (E_RNA) where: Base-Base interactions energy: -677.483 where: short stacking energy: -316.845 Base-Backbone interact. energy: 1.981 local terms energy: -490.817432 where: bonds (distance) C4'-P energy: -104.143 bonds (distance) P-C4' energy: -160.559 flat angles C4'-P-C4' energy: -119.755 flat angles P-C4'-P energy: -85.783 tors. eta vs tors. theta energy: -20.578 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: 1, replica: 3 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -2964.126708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.126708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.126708 (E_RNA) where: Base-Base interactions energy: -2071.635 where: short stacking energy: -838.429 Base-Backbone interact. energy: -3.219 local terms energy: -889.273159 where: bonds (distance) C4'-P energy: -158.149 bonds (distance) P-C4' energy: -179.984 flat angles C4'-P-C4' energy: -185.926 flat angles P-C4'-P energy: -117.340 tors. eta vs tors. theta energy: -247.874 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: 1 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -2790.992173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.992173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.992173 (E_RNA) where: Base-Base interactions energy: -1977.212 where: short stacking energy: -780.961 Base-Backbone interact. energy: -6.289 local terms energy: -807.491053 where: bonds (distance) C4'-P energy: -153.201 bonds (distance) P-C4' energy: -155.257 flat angles C4'-P-C4' energy: -168.139 flat angles P-C4'-P energy: -131.370 tors. eta vs tors. theta energy: -199.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -2737.208281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.208281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.208281 (E_RNA) where: Base-Base interactions energy: -1906.027 where: short stacking energy: -776.061 Base-Backbone interact. energy: -3.500 local terms energy: -827.680664 where: bonds (distance) C4'-P energy: -149.209 bonds (distance) P-C4' energy: -157.877 flat angles C4'-P-C4' energy: -179.624 flat angles P-C4'-P energy: -115.838 tors. eta vs tors. theta energy: -225.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -2634.002996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.002996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.002996 (E_RNA) where: Base-Base interactions energy: -1838.113 where: short stacking energy: -766.025 Base-Backbone interact. energy: -4.643 local terms energy: -791.246794 where: bonds (distance) C4'-P energy: -156.862 bonds (distance) P-C4' energy: -156.632 flat angles C4'-P-C4' energy: -177.554 flat angles P-C4'-P energy: -105.187 tors. eta vs tors. theta energy: -195.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -2583.931336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.931336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.931336 (E_RNA) where: Base-Base interactions energy: -1776.083 where: short stacking energy: -714.208 Base-Backbone interact. energy: -5.532 local terms energy: -802.315497 where: bonds (distance) C4'-P energy: -154.005 bonds (distance) P-C4' energy: -166.171 flat angles C4'-P-C4' energy: -174.184 flat angles P-C4'-P energy: -105.991 tors. eta vs tors. theta energy: -201.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -2438.325538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.325538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.325538 (E_RNA) where: Base-Base interactions energy: -1705.500 where: short stacking energy: -708.282 Base-Backbone interact. energy: 3.592 local terms energy: -736.417596 where: bonds (distance) C4'-P energy: -138.687 bonds (distance) P-C4' energy: -154.134 flat angles C4'-P-C4' energy: -163.347 flat angles P-C4'-P energy: -101.601 tors. eta vs tors. theta energy: -178.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -2279.781602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.781602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.781602 (E_RNA) where: Base-Base interactions energy: -1571.478 where: short stacking energy: -634.746 Base-Backbone interact. energy: -2.534 local terms energy: -705.769435 where: bonds (distance) C4'-P energy: -144.982 bonds (distance) P-C4' energy: -127.944 flat angles C4'-P-C4' energy: -141.733 flat angles P-C4'-P energy: -110.870 tors. eta vs tors. theta energy: -180.240 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: 8, replica: 2 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -2009.407444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.407444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.407444 (E_RNA) where: Base-Base interactions energy: -1413.181 where: short stacking energy: -581.891 Base-Backbone interact. energy: -5.465 local terms energy: -590.760994 where: bonds (distance) C4'-P energy: -120.901 bonds (distance) P-C4' energy: -119.926 flat angles C4'-P-C4' energy: -135.697 flat angles P-C4'-P energy: -81.313 tors. eta vs tors. theta energy: -132.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -1670.834741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.834741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.834741 (E_RNA) where: Base-Base interactions energy: -1113.515 where: short stacking energy: -434.898 Base-Backbone interact. energy: -4.731 local terms energy: -552.589108 where: bonds (distance) C4'-P energy: -126.993 bonds (distance) P-C4' energy: -141.353 flat angles C4'-P-C4' energy: -131.232 flat angles P-C4'-P energy: -79.752 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: 10, replica: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -1205.634584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.634584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.634584 (E_RNA) where: Base-Base interactions energy: -709.140 where: short stacking energy: -319.455 Base-Backbone interact. energy: 0.248 local terms energy: -496.742196 where: bonds (distance) C4'-P energy: -130.453 bonds (distance) P-C4' energy: -150.717 flat angles C4'-P-C4' energy: -120.344 flat angles P-C4'-P energy: -66.300 tors. eta vs tors. theta energy: -28.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -2952.504873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.504873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.504873 (E_RNA) where: Base-Base interactions energy: -2081.970 where: short stacking energy: -832.611 Base-Backbone interact. energy: -7.301 local terms energy: -863.234218 where: bonds (distance) C4'-P energy: -153.673 bonds (distance) P-C4' energy: -163.745 flat angles C4'-P-C4' energy: -180.501 flat angles P-C4'-P energy: -132.343 tors. eta vs tors. theta energy: -232.973 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: 1 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -2760.029924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.029924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.029924 (E_RNA) where: Base-Base interactions energy: -1916.615 where: short stacking energy: -779.661 Base-Backbone interact. energy: -6.400 local terms energy: -837.015559 where: bonds (distance) C4'-P energy: -168.205 bonds (distance) P-C4' energy: -161.642 flat angles C4'-P-C4' energy: -181.161 flat angles P-C4'-P energy: -120.302 tors. eta vs tors. theta energy: -205.705 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: 7 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -2714.488041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.488041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.488041 (E_RNA) where: Base-Base interactions energy: -1881.609 where: short stacking energy: -752.672 Base-Backbone interact. energy: -6.072 local terms energy: -826.806825 where: bonds (distance) C4'-P energy: -164.504 bonds (distance) P-C4' energy: -161.075 flat angles C4'-P-C4' energy: -168.433 flat angles P-C4'-P energy: -127.040 tors. eta vs tors. theta energy: -205.756 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: 5 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -2603.291294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.291294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.291294 (E_RNA) where: Base-Base interactions energy: -1837.656 where: short stacking energy: -737.105 Base-Backbone interact. energy: 0.985 local terms energy: -766.620607 where: bonds (distance) C4'-P energy: -140.505 bonds (distance) P-C4' energy: -157.028 flat angles C4'-P-C4' energy: -180.637 flat angles P-C4'-P energy: -106.644 tors. eta vs tors. theta energy: -181.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -2510.237420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.237420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.237420 (E_RNA) where: Base-Base interactions energy: -1762.790 where: short stacking energy: -693.945 Base-Backbone interact. energy: -4.796 local terms energy: -742.651443 where: bonds (distance) C4'-P energy: -145.853 bonds (distance) P-C4' energy: -163.565 flat angles C4'-P-C4' energy: -163.210 flat angles P-C4'-P energy: -83.605 tors. eta vs tors. theta energy: -186.418 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: 8 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -2412.713175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.713175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.713175 (E_RNA) where: Base-Base interactions energy: -1651.004 where: short stacking energy: -696.921 Base-Backbone interact. energy: -2.380 local terms energy: -759.328765 where: bonds (distance) C4'-P energy: -134.412 bonds (distance) P-C4' energy: -143.499 flat angles C4'-P-C4' energy: -172.640 flat angles P-C4'-P energy: -103.949 tors. eta vs tors. theta energy: -204.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -2362.056702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.056702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.056702 (E_RNA) where: Base-Base interactions energy: -1652.301 where: short stacking energy: -658.270 Base-Backbone interact. energy: -4.050 local terms energy: -705.706261 where: bonds (distance) C4'-P energy: -137.586 bonds (distance) P-C4' energy: -146.566 flat angles C4'-P-C4' energy: -170.206 flat angles P-C4'-P energy: -83.452 tors. eta vs tors. theta energy: -167.896 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: 2 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -1993.841646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.841646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.841646 (E_RNA) where: Base-Base interactions energy: -1363.190 where: short stacking energy: -570.275 Base-Backbone interact. energy: -2.489 local terms energy: -628.162031 where: bonds (distance) C4'-P energy: -105.884 bonds (distance) P-C4' energy: -130.073 flat angles C4'-P-C4' energy: -163.264 flat angles P-C4'-P energy: -86.594 tors. eta vs tors. theta energy: -142.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -1678.842602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.842602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.842602 (E_RNA) where: Base-Base interactions energy: -1139.233 where: short stacking energy: -463.570 Base-Backbone interact. energy: -1.555 local terms energy: -538.053957 where: bonds (distance) C4'-P energy: -124.159 bonds (distance) P-C4' energy: -146.352 flat angles C4'-P-C4' energy: -129.855 flat angles P-C4'-P energy: -59.545 tors. eta vs tors. theta energy: -78.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -1183.083749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.083749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.083749 (E_RNA) where: Base-Base interactions energy: -702.722 where: short stacking energy: -340.806 Base-Backbone interact. energy: -0.478 local terms energy: -479.883208 where: bonds (distance) C4'-P energy: -107.629 bonds (distance) P-C4' energy: -134.447 flat angles C4'-P-C4' energy: -129.738 flat angles P-C4'-P energy: -69.471 tors. eta vs tors. theta energy: -38.599 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: 3 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -2942.697608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.697608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.697608 (E_RNA) where: Base-Base interactions energy: -2076.074 where: short stacking energy: -838.683 Base-Backbone interact. energy: 0.837 local terms energy: -867.460223 where: bonds (distance) C4'-P energy: -153.408 bonds (distance) P-C4' energy: -167.004 flat angles C4'-P-C4' energy: -186.644 flat angles P-C4'-P energy: -129.851 tors. eta vs tors. theta energy: -230.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -2783.204930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.204930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.204930 (E_RNA) where: Base-Base interactions energy: -1950.778 where: short stacking energy: -785.523 Base-Backbone interact. energy: -5.766 local terms energy: -826.661301 where: bonds (distance) C4'-P energy: -150.103 bonds (distance) P-C4' energy: -177.557 flat angles C4'-P-C4' energy: -174.587 flat angles P-C4'-P energy: -112.520 tors. eta vs tors. theta energy: -211.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -2742.945333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.945333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.945333 (E_RNA) where: Base-Base interactions energy: -1898.939 where: short stacking energy: -790.641 Base-Backbone interact. energy: -4.857 local terms energy: -839.149785 where: bonds (distance) C4'-P energy: -145.639 bonds (distance) P-C4' energy: -174.602 flat angles C4'-P-C4' energy: -179.282 flat angles P-C4'-P energy: -125.810 tors. eta vs tors. theta energy: -213.817 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: 5 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -2625.796914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.796914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.796914 (E_RNA) where: Base-Base interactions energy: -1838.755 where: short stacking energy: -756.847 Base-Backbone interact. energy: -2.381 local terms energy: -784.660816 where: bonds (distance) C4'-P energy: -138.244 bonds (distance) P-C4' energy: -183.931 flat angles C4'-P-C4' energy: -169.325 flat angles P-C4'-P energy: -98.689 tors. eta vs tors. theta energy: -194.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -2532.250325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.250325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.250325 (E_RNA) where: Base-Base interactions energy: -1782.939 where: short stacking energy: -717.047 Base-Backbone interact. energy: -5.495 local terms energy: -743.816344 where: bonds (distance) C4'-P energy: -137.579 bonds (distance) P-C4' energy: -144.759 flat angles C4'-P-C4' energy: -162.760 flat angles P-C4'-P energy: -105.625 tors. eta vs tors. theta energy: -193.093 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: 8 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -2392.194509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.194509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.194509 (E_RNA) where: Base-Base interactions energy: -1672.939 where: short stacking energy: -706.168 Base-Backbone interact. energy: -0.600 local terms energy: -718.655913 where: bonds (distance) C4'-P energy: -128.066 bonds (distance) P-C4' energy: -140.210 flat angles C4'-P-C4' energy: -160.138 flat angles P-C4'-P energy: -108.719 tors. eta vs tors. theta energy: -181.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -2363.955559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.955559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.955559 (E_RNA) where: Base-Base interactions energy: -1620.175 where: short stacking energy: -652.489 Base-Backbone interact. energy: -6.122 local terms energy: -737.658028 where: bonds (distance) C4'-P energy: -127.767 bonds (distance) P-C4' energy: -174.572 flat angles C4'-P-C4' energy: -161.835 flat angles P-C4'-P energy: -99.345 tors. eta vs tors. theta energy: -174.140 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: 2 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -2061.427569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.427569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.427569 (E_RNA) where: Base-Base interactions energy: -1416.311 where: short stacking energy: -569.116 Base-Backbone interact. energy: 0.006 local terms energy: -645.122473 where: bonds (distance) C4'-P energy: -152.351 bonds (distance) P-C4' energy: -135.525 flat angles C4'-P-C4' energy: -134.961 flat angles P-C4'-P energy: -77.585 tors. eta vs tors. theta energy: -144.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -1730.779448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.779448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.779448 (E_RNA) where: Base-Base interactions energy: -1166.447 where: short stacking energy: -497.436 Base-Backbone interact. energy: 6.281 local terms energy: -570.613634 where: bonds (distance) C4'-P energy: -115.024 bonds (distance) P-C4' energy: -142.049 flat angles C4'-P-C4' energy: -122.735 flat angles P-C4'-P energy: -79.978 tors. eta vs tors. theta energy: -110.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -1074.927771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.927771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.927771 (E_RNA) where: Base-Base interactions energy: -615.572 where: short stacking energy: -303.107 Base-Backbone interact. energy: 2.344 local terms energy: -461.699974 where: bonds (distance) C4'-P energy: -101.633 bonds (distance) P-C4' energy: -149.879 flat angles C4'-P-C4' energy: -116.407 flat angles P-C4'-P energy: -84.200 tors. eta vs tors. theta energy: -9.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -2903.192540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.192540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.192540 (E_RNA) where: Base-Base interactions energy: -2053.148 where: short stacking energy: -815.330 Base-Backbone interact. energy: -1.058 local terms energy: -848.986843 where: bonds (distance) C4'-P energy: -156.058 bonds (distance) P-C4' energy: -155.260 flat angles C4'-P-C4' energy: -178.900 flat angles P-C4'-P energy: -132.155 tors. eta vs tors. theta energy: -226.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -2742.961240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.961240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.961240 (E_RNA) where: Base-Base interactions energy: -1930.790 where: short stacking energy: -743.386 Base-Backbone interact. energy: -5.355 local terms energy: -806.816933 where: bonds (distance) C4'-P energy: -144.337 bonds (distance) P-C4' energy: -160.554 flat angles C4'-P-C4' energy: -185.545 flat angles P-C4'-P energy: -117.170 tors. eta vs tors. theta energy: -199.210 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: 3, replica: 7 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -2709.353550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.353550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.353550 (E_RNA) where: Base-Base interactions energy: -1881.411 where: short stacking energy: -736.185 Base-Backbone interact. energy: -3.937 local terms energy: -824.004856 where: bonds (distance) C4'-P energy: -153.214 bonds (distance) P-C4' energy: -163.954 flat angles C4'-P-C4' energy: -186.179 flat angles P-C4'-P energy: -124.063 tors. eta vs tors. theta energy: -196.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -2610.568040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.568040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.568040 (E_RNA) where: Base-Base interactions energy: -1818.836 where: short stacking energy: -738.814 Base-Backbone interact. energy: -4.980 local terms energy: -786.752454 where: bonds (distance) C4'-P energy: -143.320 bonds (distance) P-C4' energy: -146.248 flat angles C4'-P-C4' energy: -182.471 flat angles P-C4'-P energy: -114.632 tors. eta vs tors. theta energy: -200.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -2557.204129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.204129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.204129 (E_RNA) where: Base-Base interactions energy: -1800.561 where: short stacking energy: -742.776 Base-Backbone interact. energy: -3.378 local terms energy: -753.264342 where: bonds (distance) C4'-P energy: -146.994 bonds (distance) P-C4' energy: -147.268 flat angles C4'-P-C4' energy: -158.212 flat angles P-C4'-P energy: -110.544 tors. eta vs tors. theta energy: -190.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -2445.570963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.570963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.570963 (E_RNA) where: Base-Base interactions energy: -1695.819 where: short stacking energy: -690.235 Base-Backbone interact. energy: 0.181 local terms energy: -749.932960 where: bonds (distance) C4'-P energy: -134.720 bonds (distance) P-C4' energy: -156.196 flat angles C4'-P-C4' energy: -153.234 flat angles P-C4'-P energy: -107.078 tors. eta vs tors. theta energy: -198.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -2373.475784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.475784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.475784 (E_RNA) where: Base-Base interactions energy: -1658.952 where: short stacking energy: -685.947 Base-Backbone interact. energy: -3.664 local terms energy: -710.860157 where: bonds (distance) C4'-P energy: -128.295 bonds (distance) P-C4' energy: -140.744 flat angles C4'-P-C4' energy: -154.893 flat angles P-C4'-P energy: -94.925 tors. eta vs tors. theta energy: -192.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -2096.610327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.610327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.610327 (E_RNA) where: Base-Base interactions energy: -1438.996 where: short stacking energy: -596.278 Base-Backbone interact. energy: -3.964 local terms energy: -653.650472 where: bonds (distance) C4'-P energy: -125.368 bonds (distance) P-C4' energy: -133.865 flat angles C4'-P-C4' energy: -160.234 flat angles P-C4'-P energy: -81.315 tors. eta vs tors. theta energy: -152.868 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: 19 Temperature: 1.300000 Total energy: -1608.648611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.648611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.648611 (E_RNA) where: Base-Base interactions energy: -1075.085 where: short stacking energy: -459.975 Base-Backbone interact. energy: -2.322 local terms energy: -531.242001 where: bonds (distance) C4'-P energy: -127.922 bonds (distance) P-C4' energy: -128.970 flat angles C4'-P-C4' energy: -129.057 flat angles P-C4'-P energy: -56.323 tors. eta vs tors. theta energy: -88.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -1062.619090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.619090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.619090 (E_RNA) where: Base-Base interactions energy: -630.183 where: short stacking energy: -314.284 Base-Backbone interact. energy: 4.350 local terms energy: -436.785943 where: bonds (distance) C4'-P energy: -127.215 bonds (distance) P-C4' energy: -133.092 flat angles C4'-P-C4' energy: -101.971 flat angles P-C4'-P energy: -59.317 tors. eta vs tors. theta energy: -15.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -2962.010666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.010666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.010666 (E_RNA) where: Base-Base interactions energy: -2100.154 where: short stacking energy: -855.004 Base-Backbone interact. energy: -7.860 local terms energy: -853.996799 where: bonds (distance) C4'-P energy: -154.110 bonds (distance) P-C4' energy: -178.294 flat angles C4'-P-C4' energy: -172.468 flat angles P-C4'-P energy: -117.849 tors. eta vs tors. theta energy: -231.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -2757.187189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.187189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.187189 (E_RNA) where: Base-Base interactions energy: -1975.836 where: short stacking energy: -742.364 Base-Backbone interact. energy: -1.210 local terms energy: -780.141047 where: bonds (distance) C4'-P energy: -147.190 bonds (distance) P-C4' energy: -167.454 flat angles C4'-P-C4' energy: -172.201 flat angles P-C4'-P energy: -98.726 tors. eta vs tors. theta energy: -194.571 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: 7 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -2706.090062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.090062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.090062 (E_RNA) where: Base-Base interactions energy: -1942.311 where: short stacking energy: -770.336 Base-Backbone interact. energy: 1.176 local terms energy: -764.956020 where: bonds (distance) C4'-P energy: -139.805 bonds (distance) P-C4' energy: -146.995 flat angles C4'-P-C4' energy: -153.974 flat angles P-C4'-P energy: -114.895 tors. eta vs tors. theta energy: -209.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -2589.598094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.598094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.598094 (E_RNA) where: Base-Base interactions energy: -1786.394 where: short stacking energy: -775.038 Base-Backbone interact. energy: -2.993 local terms energy: -800.211000 where: bonds (distance) C4'-P energy: -139.487 bonds (distance) P-C4' energy: -163.678 flat angles C4'-P-C4' energy: -172.098 flat angles P-C4'-P energy: -115.227 tors. eta vs tors. theta energy: -209.720 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: 4 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -2537.975993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.975993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.975993 (E_RNA) where: Base-Base interactions energy: -1770.190 where: short stacking energy: -708.503 Base-Backbone interact. energy: -4.210 local terms energy: -763.575305 where: bonds (distance) C4'-P energy: -145.318 bonds (distance) P-C4' energy: -144.317 flat angles C4'-P-C4' energy: -171.337 flat angles P-C4'-P energy: -107.168 tors. eta vs tors. theta energy: -195.435 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: 8 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -2436.781563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.781563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.781563 (E_RNA) where: Base-Base interactions energy: -1703.802 where: short stacking energy: -707.738 Base-Backbone interact. energy: -0.121 local terms energy: -732.858750 where: bonds (distance) C4'-P energy: -145.011 bonds (distance) P-C4' energy: -124.835 flat angles C4'-P-C4' energy: -144.695 flat angles P-C4'-P energy: -108.750 tors. eta vs tors. theta energy: -209.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -2376.887238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.887238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.887238 (E_RNA) where: Base-Base interactions energy: -1635.755 where: short stacking energy: -656.919 Base-Backbone interact. energy: -1.618 local terms energy: -739.514219 where: bonds (distance) C4'-P energy: -129.529 bonds (distance) P-C4' energy: -164.867 flat angles C4'-P-C4' energy: -157.356 flat angles P-C4'-P energy: -102.805 tors. eta vs tors. theta energy: -184.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -2126.420191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.420191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.420191 (E_RNA) where: Base-Base interactions energy: -1455.673 where: short stacking energy: -594.501 Base-Backbone interact. energy: -4.438 local terms energy: -666.309249 where: bonds (distance) C4'-P energy: -131.177 bonds (distance) P-C4' energy: -138.468 flat angles C4'-P-C4' energy: -149.113 flat angles P-C4'-P energy: -93.481 tors. eta vs tors. theta energy: -154.071 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: 20 Temperature: 1.300000 Total energy: -1567.092152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.092152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.092152 (E_RNA) where: Base-Base interactions energy: -1041.914 where: short stacking energy: -476.182 Base-Backbone interact. energy: 6.629 local terms energy: -531.806712 where: bonds (distance) C4'-P energy: -100.631 bonds (distance) P-C4' energy: -136.275 flat angles C4'-P-C4' energy: -142.783 flat angles P-C4'-P energy: -70.493 tors. eta vs tors. theta energy: -81.625 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: 10 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -1065.023438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.023438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.023438 (E_RNA) where: Base-Base interactions energy: -613.739 where: short stacking energy: -313.944 Base-Backbone interact. energy: 0.476 local terms energy: -451.760930 where: bonds (distance) C4'-P energy: -110.128 bonds (distance) P-C4' energy: -149.880 flat angles C4'-P-C4' energy: -108.920 flat angles P-C4'-P energy: -57.791 tors. eta vs tors. theta energy: -25.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2964.319595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.319595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.319595 (E_RNA) where: Base-Base interactions energy: -2122.459 where: short stacking energy: -850.748 Base-Backbone interact. energy: 0.109 local terms energy: -841.968728 where: bonds (distance) C4'-P energy: -150.170 bonds (distance) P-C4' energy: -142.704 flat angles C4'-P-C4' energy: -188.812 flat angles P-C4'-P energy: -133.554 tors. eta vs tors. theta energy: -226.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -2778.056540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.056540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.056540 (E_RNA) where: Base-Base interactions energy: -1957.529 where: short stacking energy: -795.745 Base-Backbone interact. energy: -3.882 local terms energy: -816.645425 where: bonds (distance) C4'-P energy: -152.014 bonds (distance) P-C4' energy: -166.988 flat angles C4'-P-C4' energy: -153.911 flat angles P-C4'-P energy: -126.422 tors. eta vs tors. theta energy: -217.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -2708.812162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.812162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.812162 (E_RNA) where: Base-Base interactions energy: -1885.533 where: short stacking energy: -754.360 Base-Backbone interact. energy: -5.187 local terms energy: -818.092099 where: bonds (distance) C4'-P energy: -173.190 bonds (distance) P-C4' energy: -154.994 flat angles C4'-P-C4' energy: -169.449 flat angles P-C4'-P energy: -118.501 tors. eta vs tors. theta energy: -201.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -2624.206717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.206717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.206717 (E_RNA) where: Base-Base interactions energy: -1834.656 where: short stacking energy: -770.961 Base-Backbone interact. energy: -2.314 local terms energy: -787.237089 where: bonds (distance) C4'-P energy: -141.773 bonds (distance) P-C4' energy: -145.266 flat angles C4'-P-C4' energy: -173.282 flat angles P-C4'-P energy: -125.969 tors. eta vs tors. theta energy: -200.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -2511.568981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.568981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.568981 (E_RNA) where: Base-Base interactions energy: -1757.437 where: short stacking energy: -732.916 Base-Backbone interact. energy: 2.503 local terms energy: -756.634489 where: bonds (distance) C4'-P energy: -136.808 bonds (distance) P-C4' energy: -161.088 flat angles C4'-P-C4' energy: -165.336 flat angles P-C4'-P energy: -93.111 tors. eta vs tors. theta energy: -200.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -2469.115377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.115377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.115377 (E_RNA) where: Base-Base interactions energy: -1700.412 where: short stacking energy: -707.530 Base-Backbone interact. energy: -0.637 local terms energy: -768.066922 where: bonds (distance) C4'-P energy: -154.409 bonds (distance) P-C4' energy: -157.357 flat angles C4'-P-C4' energy: -166.892 flat angles P-C4'-P energy: -84.380 tors. eta vs tors. theta energy: -205.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -2296.794630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.794630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.794630 (E_RNA) where: Base-Base interactions energy: -1603.667 where: short stacking energy: -639.476 Base-Backbone interact. energy: -2.388 local terms energy: -690.739501 where: bonds (distance) C4'-P energy: -136.847 bonds (distance) P-C4' energy: -141.631 flat angles C4'-P-C4' energy: -149.909 flat angles P-C4'-P energy: -89.293 tors. eta vs tors. theta energy: -173.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -2073.430654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.430654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.430654 (E_RNA) where: Base-Base interactions energy: -1412.965 where: short stacking energy: -580.225 Base-Backbone interact. energy: -3.481 local terms energy: -656.984412 where: bonds (distance) C4'-P energy: -138.912 bonds (distance) P-C4' energy: -138.861 flat angles C4'-P-C4' energy: -146.607 flat angles P-C4'-P energy: -93.976 tors. eta vs tors. theta energy: -138.629 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: 9, replica: 9 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -1507.459343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.459343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.459343 (E_RNA) where: Base-Base interactions energy: -984.455 where: short stacking energy: -406.121 Base-Backbone interact. energy: -4.401 local terms energy: -518.602956 where: bonds (distance) C4'-P energy: -124.929 bonds (distance) P-C4' energy: -139.166 flat angles C4'-P-C4' energy: -117.805 flat angles P-C4'-P energy: -69.528 tors. eta vs tors. theta energy: -67.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -1014.334187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.334187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.334187 (E_RNA) where: Base-Base interactions energy: -547.293 where: short stacking energy: -271.188 Base-Backbone interact. energy: 4.425 local terms energy: -471.465635 where: bonds (distance) C4'-P energy: -121.899 bonds (distance) P-C4' energy: -124.735 flat angles C4'-P-C4' energy: -137.609 flat angles P-C4'-P energy: -84.857 tors. eta vs tors. theta energy: -2.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2997.424864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.424864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.424864 (E_RNA) where: Base-Base interactions energy: -2136.831 where: short stacking energy: -852.240 Base-Backbone interact. energy: -9.854 local terms energy: -850.740356 where: bonds (distance) C4'-P energy: -148.646 bonds (distance) P-C4' energy: -175.515 flat angles C4'-P-C4' energy: -172.909 flat angles P-C4'-P energy: -118.282 tors. eta vs tors. theta energy: -235.388 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: 2, replica: 7 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -2774.654921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.654921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.654921 (E_RNA) where: Base-Base interactions energy: -1944.500 where: short stacking energy: -801.187 Base-Backbone interact. energy: -4.092 local terms energy: -826.063042 where: bonds (distance) C4'-P energy: -150.171 bonds (distance) P-C4' energy: -167.759 flat angles C4'-P-C4' energy: -165.778 flat angles P-C4'-P energy: -131.361 tors. eta vs tors. theta energy: -210.993 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: 1 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -2717.956590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.956590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.956590 (E_RNA) where: Base-Base interactions energy: -1900.355 where: short stacking energy: -772.698 Base-Backbone interact. energy: -2.174 local terms energy: -815.426995 where: bonds (distance) C4'-P energy: -143.669 bonds (distance) P-C4' energy: -160.390 flat angles C4'-P-C4' energy: -167.216 flat angles P-C4'-P energy: -123.498 tors. eta vs tors. theta energy: -220.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -2639.924018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.924018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.924018 (E_RNA) where: Base-Base interactions energy: -1846.717 where: short stacking energy: -789.134 Base-Backbone interact. energy: 1.232 local terms energy: -794.438814 where: bonds (distance) C4'-P energy: -116.400 bonds (distance) P-C4' energy: -163.824 flat angles C4'-P-C4' energy: -165.088 flat angles P-C4'-P energy: -118.823 tors. eta vs tors. theta energy: -230.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -2525.639393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.639393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.639393 (E_RNA) where: Base-Base interactions energy: -1740.586 where: short stacking energy: -723.936 Base-Backbone interact. energy: -0.941 local terms energy: -784.112660 where: bonds (distance) C4'-P energy: -141.291 bonds (distance) P-C4' energy: -162.746 flat angles C4'-P-C4' energy: -164.389 flat angles P-C4'-P energy: -120.468 tors. eta vs tors. theta energy: -195.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -2488.155994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.155994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.155994 (E_RNA) where: Base-Base interactions energy: -1741.859 where: short stacking energy: -714.746 Base-Backbone interact. energy: -2.673 local terms energy: -743.624664 where: bonds (distance) C4'-P energy: -114.873 bonds (distance) P-C4' energy: -156.071 flat angles C4'-P-C4' energy: -156.070 flat angles P-C4'-P energy: -116.263 tors. eta vs tors. theta energy: -200.348 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: 7, replica: 6 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -2313.208705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.208705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.208705 (E_RNA) where: Base-Base interactions energy: -1614.537 where: short stacking energy: -667.635 Base-Backbone interact. energy: -1.347 local terms energy: -697.324607 where: bonds (distance) C4'-P energy: -140.424 bonds (distance) P-C4' energy: -130.681 flat angles C4'-P-C4' energy: -164.021 flat angles P-C4'-P energy: -85.251 tors. eta vs tors. theta energy: -176.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -1946.772955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.772955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.772955 (E_RNA) where: Base-Base interactions energy: -1331.648 where: short stacking energy: -525.632 Base-Backbone interact. energy: -1.137 local terms energy: -613.988032 where: bonds (distance) C4'-P energy: -121.721 bonds (distance) P-C4' energy: -150.492 flat angles C4'-P-C4' energy: -147.114 flat angles P-C4'-P energy: -85.588 tors. eta vs tors. theta energy: -109.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -1502.035008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.035008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.035008 (E_RNA) where: Base-Base interactions energy: -980.334 where: short stacking energy: -402.014 Base-Backbone interact. energy: -2.987 local terms energy: -518.714636 where: bonds (distance) C4'-P energy: -137.793 bonds (distance) P-C4' energy: -138.041 flat angles C4'-P-C4' energy: -112.818 flat angles P-C4'-P energy: -76.269 tors. eta vs tors. theta energy: -53.795 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: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -1035.915332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.915332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.915332 (E_RNA) where: Base-Base interactions energy: -568.023 where: short stacking energy: -315.285 Base-Backbone interact. energy: 1.346 local terms energy: -469.237940 where: bonds (distance) C4'-P energy: -117.659 bonds (distance) P-C4' energy: -133.568 flat angles C4'-P-C4' energy: -121.695 flat angles P-C4'-P energy: -69.540 tors. eta vs tors. theta energy: -26.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2987.556408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.556408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.556408 (E_RNA) where: Base-Base interactions energy: -2115.401 where: short stacking energy: -828.832 Base-Backbone interact. energy: -3.103 local terms energy: -869.052437 where: bonds (distance) C4'-P energy: -157.431 bonds (distance) P-C4' energy: -168.674 flat angles C4'-P-C4' energy: -180.543 flat angles P-C4'-P energy: -130.692 tors. eta vs tors. theta energy: -231.713 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: 23 Temperature: 0.950000 Total energy: -2779.608264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.608264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.608264 (E_RNA) where: Base-Base interactions energy: -1923.900 where: short stacking energy: -809.896 Base-Backbone interact. energy: -4.864 local terms energy: -850.844018 where: bonds (distance) C4'-P energy: -152.539 bonds (distance) P-C4' energy: -166.717 flat angles C4'-P-C4' energy: -187.795 flat angles P-C4'-P energy: -123.146 tors. eta vs tors. theta energy: -220.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -2713.305736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.305736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.305736 (E_RNA) where: Base-Base interactions energy: -1910.781 where: short stacking energy: -763.297 Base-Backbone interact. energy: -4.754 local terms energy: -797.771013 where: bonds (distance) C4'-P energy: -156.083 bonds (distance) P-C4' energy: -148.076 flat angles C4'-P-C4' energy: -169.834 flat angles P-C4'-P energy: -129.608 tors. eta vs tors. theta energy: -194.171 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: 5 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -2655.735566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.735566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.735566 (E_RNA) where: Base-Base interactions energy: -1851.471 where: short stacking energy: -759.036 Base-Backbone interact. energy: -1.777 local terms energy: -802.487549 where: bonds (distance) C4'-P energy: -155.290 bonds (distance) P-C4' energy: -134.324 flat angles C4'-P-C4' energy: -178.810 flat angles P-C4'-P energy: -120.532 tors. eta vs tors. theta energy: -213.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -2543.030075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.030075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.030075 (E_RNA) where: Base-Base interactions energy: -1799.865 where: short stacking energy: -723.658 Base-Backbone interact. energy: -2.998 local terms energy: -740.167443 where: bonds (distance) C4'-P energy: -132.784 bonds (distance) P-C4' energy: -131.235 flat angles C4'-P-C4' energy: -165.813 flat angles P-C4'-P energy: -108.683 tors. eta vs tors. theta energy: -201.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -2457.498795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.498795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.498795 (E_RNA) where: Base-Base interactions energy: -1721.765 where: short stacking energy: -704.636 Base-Backbone interact. energy: -4.827 local terms energy: -730.907291 where: bonds (distance) C4'-P energy: -125.521 bonds (distance) P-C4' energy: -159.052 flat angles C4'-P-C4' energy: -162.416 flat angles P-C4'-P energy: -107.284 tors. eta vs tors. theta energy: -176.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -2289.126588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.126588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.126588 (E_RNA) where: Base-Base interactions energy: -1573.891 where: short stacking energy: -670.380 Base-Backbone interact. energy: -3.161 local terms energy: -712.074978 where: bonds (distance) C4'-P energy: -126.110 bonds (distance) P-C4' energy: -165.875 flat angles C4'-P-C4' energy: -142.881 flat angles P-C4'-P energy: -90.768 tors. eta vs tors. theta energy: -186.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -2037.456742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.456742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.456742 (E_RNA) where: Base-Base interactions energy: -1402.117 where: short stacking energy: -585.711 Base-Backbone interact. energy: -6.728 local terms energy: -628.612689 where: bonds (distance) C4'-P energy: -100.994 bonds (distance) P-C4' energy: -139.064 flat angles C4'-P-C4' energy: -151.798 flat angles P-C4'-P energy: -88.741 tors. eta vs tors. theta energy: -148.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -1629.587395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.587395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.587395 (E_RNA) where: Base-Base interactions energy: -1063.084 where: short stacking energy: -430.217 Base-Backbone interact. energy: -2.025 local terms energy: -564.478205 where: bonds (distance) C4'-P energy: -129.361 bonds (distance) P-C4' energy: -128.163 flat angles C4'-P-C4' energy: -139.084 flat angles P-C4'-P energy: -85.326 tors. eta vs tors. theta energy: -82.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -1050.391751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.391751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.391751 (E_RNA) where: Base-Base interactions energy: -579.273 where: short stacking energy: -291.948 Base-Backbone interact. energy: -0.181 local terms energy: -470.937440 where: bonds (distance) C4'-P energy: -128.492 bonds (distance) P-C4' energy: -125.586 flat angles C4'-P-C4' energy: -131.441 flat angles P-C4'-P energy: -70.799 tors. eta vs tors. theta energy: -14.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2981.129068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.129068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.129068 (E_RNA) where: Base-Base interactions energy: -2117.382 where: short stacking energy: -836.977 Base-Backbone interact. energy: -4.580 local terms energy: -859.166769 where: bonds (distance) C4'-P energy: -147.505 bonds (distance) P-C4' energy: -165.061 flat angles C4'-P-C4' energy: -185.398 flat angles P-C4'-P energy: -135.325 tors. eta vs tors. theta energy: -225.879 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: 7 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -2781.676315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.676315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.676315 (E_RNA) where: Base-Base interactions energy: -1955.950 where: short stacking energy: -802.850 Base-Backbone interact. energy: -4.630 local terms energy: -821.096347 where: bonds (distance) C4'-P energy: -134.728 bonds (distance) P-C4' energy: -174.572 flat angles C4'-P-C4' energy: -184.230 flat angles P-C4'-P energy: -108.495 tors. eta vs tors. theta energy: -219.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -2700.609709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.609709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.609709 (E_RNA) where: Base-Base interactions energy: -1904.296 where: short stacking energy: -765.057 Base-Backbone interact. energy: -4.881 local terms energy: -791.432316 where: bonds (distance) C4'-P energy: -158.249 bonds (distance) P-C4' energy: -149.332 flat angles C4'-P-C4' energy: -161.076 flat angles P-C4'-P energy: -119.787 tors. eta vs tors. theta energy: -202.988 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: 4, replica: 5 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -2636.855928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.855928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.855928 (E_RNA) where: Base-Base interactions energy: -1840.964 where: short stacking energy: -758.274 Base-Backbone interact. energy: -2.599 local terms energy: -793.292546 where: bonds (distance) C4'-P energy: -148.563 bonds (distance) P-C4' energy: -158.435 flat angles C4'-P-C4' energy: -163.866 flat angles P-C4'-P energy: -101.930 tors. eta vs tors. theta energy: -220.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -2528.375241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.375241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.375241 (E_RNA) where: Base-Base interactions energy: -1757.390 where: short stacking energy: -717.518 Base-Backbone interact. energy: -4.960 local terms energy: -766.025790 where: bonds (distance) C4'-P energy: -157.882 bonds (distance) P-C4' energy: -140.345 flat angles C4'-P-C4' energy: -155.044 flat angles P-C4'-P energy: -115.104 tors. eta vs tors. theta energy: -197.651 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: 8 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -2425.177170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.177170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.177170 (E_RNA) where: Base-Base interactions energy: -1657.380 where: short stacking energy: -678.216 Base-Backbone interact. energy: 0.974 local terms energy: -768.771408 where: bonds (distance) C4'-P energy: -140.556 bonds (distance) P-C4' energy: -159.751 flat angles C4'-P-C4' energy: -169.532 flat angles P-C4'-P energy: -109.377 tors. eta vs tors. theta energy: -189.555 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: 7, replica: 6 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -2291.535812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.535812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.535812 (E_RNA) where: Base-Base interactions energy: -1573.119 where: short stacking energy: -654.900 Base-Backbone interact. energy: -2.705 local terms energy: -715.711688 where: bonds (distance) C4'-P energy: -133.651 bonds (distance) P-C4' energy: -149.746 flat angles C4'-P-C4' energy: -149.464 flat angles P-C4'-P energy: -102.240 tors. eta vs tors. theta energy: -180.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -2096.669037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.669037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.669037 (E_RNA) where: Base-Base interactions energy: -1452.706 where: short stacking energy: -597.552 Base-Backbone interact. energy: 2.663 local terms energy: -646.625780 where: bonds (distance) C4'-P energy: -111.672 bonds (distance) P-C4' energy: -142.206 flat angles C4'-P-C4' energy: -157.640 flat angles P-C4'-P energy: -97.845 tors. eta vs tors. theta energy: -137.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -1539.880096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.880096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.880096 (E_RNA) where: Base-Base interactions energy: -988.818 where: short stacking energy: -421.774 Base-Backbone interact. energy: 4.843 local terms energy: -555.905842 where: bonds (distance) C4'-P energy: -134.875 bonds (distance) P-C4' energy: -148.351 flat angles C4'-P-C4' energy: -99.476 flat angles P-C4'-P energy: -84.024 tors. eta vs tors. theta energy: -89.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -1026.751273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.751273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.751273 (E_RNA) where: Base-Base interactions energy: -549.732 where: short stacking energy: -261.843 Base-Backbone interact. energy: -3.722 local terms energy: -473.297152 where: bonds (distance) C4'-P energy: -129.024 bonds (distance) P-C4' energy: -161.160 flat angles C4'-P-C4' energy: -109.495 flat angles P-C4'-P energy: -63.506 tors. eta vs tors. theta energy: -10.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -3005.469932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.469932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.469932 (E_RNA) where: Base-Base interactions energy: -2128.073 where: short stacking energy: -862.257 Base-Backbone interact. energy: -1.604 local terms energy: -875.792966 where: bonds (distance) C4'-P energy: -160.866 bonds (distance) P-C4' energy: -166.942 flat angles C4'-P-C4' energy: -188.894 flat angles P-C4'-P energy: -121.604 tors. eta vs tors. theta energy: -237.487 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: 7 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -2777.801470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.801470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.801470 (E_RNA) where: Base-Base interactions energy: -1922.900 where: short stacking energy: -801.331 Base-Backbone interact. energy: -0.252 local terms energy: -854.649026 where: bonds (distance) C4'-P energy: -151.369 bonds (distance) P-C4' energy: -161.458 flat angles C4'-P-C4' energy: -194.334 flat angles P-C4'-P energy: -129.206 tors. eta vs tors. theta energy: -218.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -2738.087977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.087977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.087977 (E_RNA) where: Base-Base interactions energy: -1920.084 where: short stacking energy: -786.988 Base-Backbone interact. energy: -4.642 local terms energy: -813.361757 where: bonds (distance) C4'-P energy: -134.577 bonds (distance) P-C4' energy: -165.746 flat angles C4'-P-C4' energy: -174.149 flat angles P-C4'-P energy: -121.998 tors. eta vs tors. theta energy: -216.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -2646.299760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.299760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.299760 (E_RNA) where: Base-Base interactions energy: -1836.005 where: short stacking energy: -776.573 Base-Backbone interact. energy: -5.109 local terms energy: -805.185724 where: bonds (distance) C4'-P energy: -134.493 bonds (distance) P-C4' energy: -175.203 flat angles C4'-P-C4' energy: -164.456 flat angles P-C4'-P energy: -115.808 tors. eta vs tors. theta energy: -215.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -2542.531327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.531327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.531327 (E_RNA) where: Base-Base interactions energy: -1777.068 where: short stacking energy: -722.904 Base-Backbone interact. energy: -4.593 local terms energy: -760.870757 where: bonds (distance) C4'-P energy: -149.264 bonds (distance) P-C4' energy: -156.712 flat angles C4'-P-C4' energy: -168.741 flat angles P-C4'-P energy: -99.240 tors. eta vs tors. theta energy: -186.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -2471.594380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.594380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.594380 (E_RNA) where: Base-Base interactions energy: -1706.640 where: short stacking energy: -690.178 Base-Backbone interact. energy: -0.822 local terms energy: -764.132075 where: bonds (distance) C4'-P energy: -137.506 bonds (distance) P-C4' energy: -160.581 flat angles C4'-P-C4' energy: -167.185 flat angles P-C4'-P energy: -106.261 tors. eta vs tors. theta energy: -192.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -2240.488975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.488975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.488975 (E_RNA) where: Base-Base interactions energy: -1588.976 where: short stacking energy: -649.699 Base-Backbone interact. energy: 0.400 local terms energy: -651.913301 where: bonds (distance) C4'-P energy: -123.741 bonds (distance) P-C4' energy: -131.032 flat angles C4'-P-C4' energy: -148.216 flat angles P-C4'-P energy: -92.566 tors. eta vs tors. theta energy: -156.359 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: 8, replica: 2 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -2057.130532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.130532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.130532 (E_RNA) where: Base-Base interactions energy: -1438.114 where: short stacking energy: -569.188 Base-Backbone interact. energy: -5.370 local terms energy: -613.646680 where: bonds (distance) C4'-P energy: -118.500 bonds (distance) P-C4' energy: -146.077 flat angles C4'-P-C4' energy: -140.402 flat angles P-C4'-P energy: -82.364 tors. eta vs tors. theta energy: -126.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -1533.146308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.146308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.146308 (E_RNA) where: Base-Base interactions energy: -993.830 where: short stacking energy: -440.511 Base-Backbone interact. energy: -0.418 local terms energy: -538.898882 where: bonds (distance) C4'-P energy: -124.000 bonds (distance) P-C4' energy: -115.120 flat angles C4'-P-C4' energy: -143.773 flat angles P-C4'-P energy: -86.302 tors. eta vs tors. theta energy: -69.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -1050.824324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.824324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.824324 (E_RNA) where: Base-Base interactions energy: -601.435 where: short stacking energy: -301.174 Base-Backbone interact. energy: 4.931 local terms energy: -454.319818 where: bonds (distance) C4'-P energy: -99.094 bonds (distance) P-C4' energy: -143.358 flat angles C4'-P-C4' energy: -128.156 flat angles P-C4'-P energy: -62.011 tors. eta vs tors. theta energy: -21.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2998.451417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.451417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.451417 (E_RNA) where: Base-Base interactions energy: -2134.378 where: short stacking energy: -836.928 Base-Backbone interact. energy: -0.399 local terms energy: -863.673867 where: bonds (distance) C4'-P energy: -157.875 bonds (distance) P-C4' energy: -167.435 flat angles C4'-P-C4' energy: -182.872 flat angles P-C4'-P energy: -115.884 tors. eta vs tors. theta energy: -239.607 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: 26 Temperature: 0.950000 Total energy: -2772.378151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.378151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.378151 (E_RNA) where: Base-Base interactions energy: -1916.642 where: short stacking energy: -798.556 Base-Backbone interact. energy: -3.849 local terms energy: -851.887104 where: bonds (distance) C4'-P energy: -155.597 bonds (distance) P-C4' energy: -171.415 flat angles C4'-P-C4' energy: -182.737 flat angles P-C4'-P energy: -131.207 tors. eta vs tors. theta energy: -210.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -2698.910275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.910275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.910275 (E_RNA) where: Base-Base interactions energy: -1904.644 where: short stacking energy: -772.354 Base-Backbone interact. energy: -3.592 local terms energy: -790.673609 where: bonds (distance) C4'-P energy: -144.909 bonds (distance) P-C4' energy: -157.199 flat angles C4'-P-C4' energy: -174.180 flat angles P-C4'-P energy: -102.839 tors. eta vs tors. theta energy: -211.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -2648.621272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.621272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.621272 (E_RNA) where: Base-Base interactions energy: -1855.834 where: short stacking energy: -750.219 Base-Backbone interact. energy: -3.883 local terms energy: -788.903926 where: bonds (distance) C4'-P energy: -159.874 bonds (distance) P-C4' energy: -165.061 flat angles C4'-P-C4' energy: -157.590 flat angles P-C4'-P energy: -85.825 tors. eta vs tors. theta energy: -220.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -2520.652548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.652548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.652548 (E_RNA) where: Base-Base interactions energy: -1747.851 where: short stacking energy: -725.449 Base-Backbone interact. energy: -4.975 local terms energy: -767.826454 where: bonds (distance) C4'-P energy: -140.610 bonds (distance) P-C4' energy: -144.187 flat angles C4'-P-C4' energy: -160.478 flat angles P-C4'-P energy: -114.670 tors. eta vs tors. theta energy: -207.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -2464.355800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.355800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.355800 (E_RNA) where: Base-Base interactions energy: -1720.327 where: short stacking energy: -686.763 Base-Backbone interact. energy: -0.032 local terms energy: -743.996943 where: bonds (distance) C4'-P energy: -145.022 bonds (distance) P-C4' energy: -152.028 flat angles C4'-P-C4' energy: -160.916 flat angles P-C4'-P energy: -106.355 tors. eta vs tors. theta energy: -179.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -2289.563774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.563774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.563774 (E_RNA) where: Base-Base interactions energy: -1599.704 where: short stacking energy: -659.266 Base-Backbone interact. energy: -6.036 local terms energy: -683.824216 where: bonds (distance) C4'-P energy: -121.010 bonds (distance) P-C4' energy: -145.100 flat angles C4'-P-C4' energy: -135.304 flat angles P-C4'-P energy: -101.841 tors. eta vs tors. theta energy: -180.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -2038.974533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.974533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.974533 (E_RNA) where: Base-Base interactions energy: -1413.426 where: short stacking energy: -587.951 Base-Backbone interact. energy: -2.021 local terms energy: -623.527863 where: bonds (distance) C4'-P energy: -121.842 bonds (distance) P-C4' energy: -145.636 flat angles C4'-P-C4' energy: -132.373 flat angles P-C4'-P energy: -83.586 tors. eta vs tors. theta energy: -140.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -1496.565014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.565014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.565014 (E_RNA) where: Base-Base interactions energy: -941.042 where: short stacking energy: -427.577 Base-Backbone interact. energy: -0.907 local terms energy: -554.615897 where: bonds (distance) C4'-P energy: -125.467 bonds (distance) P-C4' energy: -144.738 flat angles C4'-P-C4' energy: -127.405 flat angles P-C4'-P energy: -83.802 tors. eta vs tors. theta energy: -73.204 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: 10 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -1040.267702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.267702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.267702 (E_RNA) where: Base-Base interactions energy: -617.033 where: short stacking energy: -319.346 Base-Backbone interact. energy: 0.429 local terms energy: -423.663817 where: bonds (distance) C4'-P energy: -135.986 bonds (distance) P-C4' energy: -131.319 flat angles C4'-P-C4' energy: -90.738 flat angles P-C4'-P energy: -50.029 tors. eta vs tors. theta energy: -15.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -3001.420813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.420813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.420813 (E_RNA) where: Base-Base interactions energy: -2133.900 where: short stacking energy: -852.551 Base-Backbone interact. energy: -5.648 local terms energy: -861.872275 where: bonds (distance) C4'-P energy: -150.034 bonds (distance) P-C4' energy: -166.051 flat angles C4'-P-C4' energy: -182.865 flat angles P-C4'-P energy: -131.616 tors. eta vs tors. theta energy: -231.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -2755.164752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.164752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.164752 (E_RNA) where: Base-Base interactions energy: -1940.729 where: short stacking energy: -821.555 Base-Backbone interact. energy: -3.502 local terms energy: -810.933855 where: bonds (distance) C4'-P energy: -154.034 bonds (distance) P-C4' energy: -147.217 flat angles C4'-P-C4' energy: -184.886 flat angles P-C4'-P energy: -103.400 tors. eta vs tors. theta energy: -221.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -2699.740887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.740887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.740887 (E_RNA) where: Base-Base interactions energy: -1942.703 where: short stacking energy: -778.412 Base-Backbone interact. energy: -3.851 local terms energy: -753.186078 where: bonds (distance) C4'-P energy: -135.993 bonds (distance) P-C4' energy: -145.752 flat angles C4'-P-C4' energy: -158.484 flat angles P-C4'-P energy: -108.049 tors. eta vs tors. theta energy: -204.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -2601.754214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.754214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.754214 (E_RNA) where: Base-Base interactions energy: -1799.535 where: short stacking energy: -736.919 Base-Backbone interact. energy: -3.463 local terms energy: -798.756098 where: bonds (distance) C4'-P energy: -140.537 bonds (distance) P-C4' energy: -159.240 flat angles C4'-P-C4' energy: -166.886 flat angles P-C4'-P energy: -131.085 tors. eta vs tors. theta energy: -201.007 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: 5, replica: 8 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -2533.343055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.343055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.343055 (E_RNA) where: Base-Base interactions energy: -1758.273 where: short stacking energy: -690.688 Base-Backbone interact. energy: -0.427 local terms energy: -774.642428 where: bonds (distance) C4'-P energy: -137.651 bonds (distance) P-C4' energy: -161.301 flat angles C4'-P-C4' energy: -167.789 flat angles P-C4'-P energy: -109.993 tors. eta vs tors. theta energy: -197.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -2473.233009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.233009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.233009 (E_RNA) where: Base-Base interactions energy: -1725.648 where: short stacking energy: -707.845 Base-Backbone interact. energy: -6.057 local terms energy: -741.527603 where: bonds (distance) C4'-P energy: -137.125 bonds (distance) P-C4' energy: -138.864 flat angles C4'-P-C4' energy: -167.587 flat angles P-C4'-P energy: -107.792 tors. eta vs tors. theta energy: -190.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -2256.017572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.017572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.017572 (E_RNA) where: Base-Base interactions energy: -1543.414 where: short stacking energy: -654.030 Base-Backbone interact. energy: -0.607 local terms energy: -711.996405 where: bonds (distance) C4'-P energy: -120.865 bonds (distance) P-C4' energy: -140.331 flat angles C4'-P-C4' energy: -160.445 flat angles P-C4'-P energy: -109.033 tors. eta vs tors. theta energy: -181.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -2044.568900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.568900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.568900 (E_RNA) where: Base-Base interactions energy: -1376.273 where: short stacking energy: -577.069 Base-Backbone interact. energy: -3.966 local terms energy: -664.329702 where: bonds (distance) C4'-P energy: -148.550 bonds (distance) P-C4' energy: -154.133 flat angles C4'-P-C4' energy: -140.392 flat angles P-C4'-P energy: -91.660 tors. eta vs tors. theta energy: -129.596 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: -1461.579509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.579509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.579509 (E_RNA) where: Base-Base interactions energy: -936.332 where: short stacking energy: -396.162 Base-Backbone interact. energy: 5.169 local terms energy: -530.416612 where: bonds (distance) C4'-P energy: -124.247 bonds (distance) P-C4' energy: -160.089 flat angles C4'-P-C4' energy: -101.175 flat angles P-C4'-P energy: -62.128 tors. eta vs tors. theta energy: -82.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -1046.977355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.977355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.977355 (E_RNA) where: Base-Base interactions energy: -611.695 where: short stacking energy: -319.822 Base-Backbone interact. energy: -1.542 local terms energy: -433.740434 where: bonds (distance) C4'-P energy: -104.987 bonds (distance) P-C4' energy: -152.802 flat angles C4'-P-C4' energy: -99.172 flat angles P-C4'-P energy: -62.027 tors. eta vs tors. theta energy: -14.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -3005.516770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.516770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.516770 (E_RNA) where: Base-Base interactions energy: -2113.148 where: short stacking energy: -852.903 Base-Backbone interact. energy: -4.435 local terms energy: -887.933249 where: bonds (distance) C4'-P energy: -167.705 bonds (distance) P-C4' energy: -177.133 flat angles C4'-P-C4' energy: -187.617 flat angles P-C4'-P energy: -123.520 tors. eta vs tors. theta energy: -231.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2786.965042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.965042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.965042 (E_RNA) where: Base-Base interactions energy: -1954.652 where: short stacking energy: -835.088 Base-Backbone interact. energy: -4.483 local terms energy: -827.829815 where: bonds (distance) C4'-P energy: -155.506 bonds (distance) P-C4' energy: -154.142 flat angles C4'-P-C4' energy: -167.565 flat angles P-C4'-P energy: -131.115 tors. eta vs tors. theta energy: -219.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -2681.598855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.598855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.598855 (E_RNA) where: Base-Base interactions energy: -1889.024 where: short stacking energy: -747.225 Base-Backbone interact. energy: -5.936 local terms energy: -786.639029 where: bonds (distance) C4'-P energy: -143.983 bonds (distance) P-C4' energy: -161.746 flat angles C4'-P-C4' energy: -163.817 flat angles P-C4'-P energy: -114.426 tors. eta vs tors. theta energy: -202.667 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: 28 Temperature: 1.050000 Total energy: -2670.316546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.316546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.316546 (E_RNA) where: Base-Base interactions energy: -1866.302 where: short stacking energy: -748.074 Base-Backbone interact. energy: 0.278 local terms energy: -804.292534 where: bonds (distance) C4'-P energy: -148.101 bonds (distance) P-C4' energy: -142.946 flat angles C4'-P-C4' energy: -165.632 flat angles P-C4'-P energy: -133.636 tors. eta vs tors. theta energy: -213.978 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: 5, replica: 8 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -2578.372255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.372255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.372255 (E_RNA) where: Base-Base interactions energy: -1799.038 where: short stacking energy: -746.403 Base-Backbone interact. energy: -1.939 local terms energy: -777.395061 where: bonds (distance) C4'-P energy: -145.025 bonds (distance) P-C4' energy: -129.867 flat angles C4'-P-C4' energy: -176.829 flat angles P-C4'-P energy: -112.664 tors. eta vs tors. theta energy: -213.010 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: 4 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -2444.465161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.465161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.465161 (E_RNA) where: Base-Base interactions energy: -1704.540 where: short stacking energy: -717.827 Base-Backbone interact. energy: -5.012 local terms energy: -734.913886 where: bonds (distance) C4'-P energy: -125.410 bonds (distance) P-C4' energy: -145.825 flat angles C4'-P-C4' energy: -171.412 flat angles P-C4'-P energy: -92.507 tors. eta vs tors. theta energy: -199.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -2223.994991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.994991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.994991 (E_RNA) where: Base-Base interactions energy: -1544.624 where: short stacking energy: -655.839 Base-Backbone interact. energy: 0.177 local terms energy: -679.548305 where: bonds (distance) C4'-P energy: -121.353 bonds (distance) P-C4' energy: -139.133 flat angles C4'-P-C4' energy: -159.932 flat angles P-C4'-P energy: -87.240 tors. eta vs tors. theta energy: -171.891 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: 2 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1962.083697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.083697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.083697 (E_RNA) where: Base-Base interactions energy: -1336.655 where: short stacking energy: -552.157 Base-Backbone interact. energy: -3.622 local terms energy: -621.807372 where: bonds (distance) C4'-P energy: -110.218 bonds (distance) P-C4' energy: -136.956 flat angles C4'-P-C4' energy: -159.685 flat angles P-C4'-P energy: -85.010 tors. eta vs tors. theta energy: -129.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -1430.751145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.751145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.751145 (E_RNA) where: Base-Base interactions energy: -904.598 where: short stacking energy: -404.752 Base-Backbone interact. energy: -0.340 local terms energy: -525.813477 where: bonds (distance) C4'-P energy: -91.313 bonds (distance) P-C4' energy: -159.185 flat angles C4'-P-C4' energy: -129.859 flat angles P-C4'-P energy: -74.602 tors. eta vs tors. theta energy: -70.854 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: 10 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -1059.936358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.936358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.936358 (E_RNA) where: Base-Base interactions energy: -600.635 where: short stacking energy: -299.313 Base-Backbone interact. energy: 5.656 local terms energy: -464.957427 where: bonds (distance) C4'-P energy: -139.610 bonds (distance) P-C4' energy: -145.989 flat angles C4'-P-C4' energy: -104.778 flat angles P-C4'-P energy: -65.895 tors. eta vs tors. theta energy: -8.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -3020.693955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.693955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.693955 (E_RNA) where: Base-Base interactions energy: -2124.590 where: short stacking energy: -844.819 Base-Backbone interact. energy: -5.846 local terms energy: -890.258356 where: bonds (distance) C4'-P energy: -153.865 bonds (distance) P-C4' energy: -181.769 flat angles C4'-P-C4' energy: -191.874 flat angles P-C4'-P energy: -130.937 tors. eta vs tors. theta energy: -231.814 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: 7 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2768.557602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.557602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.557602 (E_RNA) where: Base-Base interactions energy: -1954.265 where: short stacking energy: -798.494 Base-Backbone interact. energy: -2.862 local terms energy: -811.430195 where: bonds (distance) C4'-P energy: -139.875 bonds (distance) P-C4' energy: -148.606 flat angles C4'-P-C4' energy: -175.035 flat angles P-C4'-P energy: -123.421 tors. eta vs tors. theta energy: -224.494 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: 5 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -2737.975725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.975725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.975725 (E_RNA) where: Base-Base interactions energy: -1910.138 where: short stacking energy: -804.886 Base-Backbone interact. energy: -4.183 local terms energy: -823.654863 where: bonds (distance) C4'-P energy: -143.943 bonds (distance) P-C4' energy: -165.942 flat angles C4'-P-C4' energy: -178.939 flat angles P-C4'-P energy: -119.121 tors. eta vs tors. theta energy: -215.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -2621.038319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.038319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.038319 (E_RNA) where: Base-Base interactions energy: -1850.307 where: short stacking energy: -751.983 Base-Backbone interact. energy: -4.240 local terms energy: -766.491336 where: bonds (distance) C4'-P energy: -142.422 bonds (distance) P-C4' energy: -136.907 flat angles C4'-P-C4' energy: -173.141 flat angles P-C4'-P energy: -109.100 tors. eta vs tors. theta energy: -204.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -2525.177946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.177946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.177946 (E_RNA) where: Base-Base interactions energy: -1750.196 where: short stacking energy: -748.929 Base-Backbone interact. energy: -2.788 local terms energy: -772.193710 where: bonds (distance) C4'-P energy: -147.968 bonds (distance) P-C4' energy: -171.141 flat angles C4'-P-C4' energy: -169.093 flat angles P-C4'-P energy: -80.334 tors. eta vs tors. theta energy: -203.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -2400.652179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.652179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.652179 (E_RNA) where: Base-Base interactions energy: -1700.374 where: short stacking energy: -678.909 Base-Backbone interact. energy: 3.385 local terms energy: -703.663574 where: bonds (distance) C4'-P energy: -117.744 bonds (distance) P-C4' energy: -142.171 flat angles C4'-P-C4' energy: -157.584 flat angles P-C4'-P energy: -103.560 tors. eta vs tors. theta energy: -182.605 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: 7, replica: 6 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -2214.303721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.303721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.303721 (E_RNA) where: Base-Base interactions energy: -1521.813 where: short stacking energy: -642.019 Base-Backbone interact. energy: 0.293 local terms energy: -692.783898 where: bonds (distance) C4'-P energy: -122.868 bonds (distance) P-C4' energy: -139.470 flat angles C4'-P-C4' energy: -165.288 flat angles P-C4'-P energy: -102.671 tors. eta vs tors. theta energy: -162.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -2062.487406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.487406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.487406 (E_RNA) where: Base-Base interactions energy: -1418.454 where: short stacking energy: -595.793 Base-Backbone interact. energy: -1.110 local terms energy: -642.923366 where: bonds (distance) C4'-P energy: -118.567 bonds (distance) P-C4' energy: -145.418 flat angles C4'-P-C4' energy: -148.356 flat angles P-C4'-P energy: -94.388 tors. eta vs tors. theta energy: -136.195 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: 29 Temperature: 1.300000 Total energy: -1597.893476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.893476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.893476 (E_RNA) where: Base-Base interactions energy: -1004.866 where: short stacking energy: -456.863 Base-Backbone interact. energy: 2.665 local terms energy: -595.691979 where: bonds (distance) C4'-P energy: -107.144 bonds (distance) P-C4' energy: -149.279 flat angles C4'-P-C4' energy: -131.139 flat angles P-C4'-P energy: -110.181 tors. eta vs tors. theta energy: -97.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -1082.478022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.478022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.478022 (E_RNA) where: Base-Base interactions energy: -604.557 where: short stacking energy: -295.221 Base-Backbone interact. energy: 6.520 local terms energy: -484.441865 where: bonds (distance) C4'-P energy: -139.627 bonds (distance) P-C4' energy: -139.364 flat angles C4'-P-C4' energy: -127.540 flat angles P-C4'-P energy: -75.019 tors. eta vs tors. theta energy: -2.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -3017.966927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.966927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.966927 (E_RNA) where: Base-Base interactions energy: -2160.850 where: short stacking energy: -831.336 Base-Backbone interact. energy: -8.889 local terms energy: -848.227773 where: bonds (distance) C4'-P energy: -155.218 bonds (distance) P-C4' energy: -169.266 flat angles C4'-P-C4' energy: -178.810 flat angles P-C4'-P energy: -119.344 tors. eta vs tors. theta energy: -225.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2748.429842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.429842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.429842 (E_RNA) where: Base-Base interactions energy: -1924.218 where: short stacking energy: -800.628 Base-Backbone interact. energy: -6.049 local terms energy: -818.162087 where: bonds (distance) C4'-P energy: -148.583 bonds (distance) P-C4' energy: -168.203 flat angles C4'-P-C4' energy: -168.644 flat angles P-C4'-P energy: -127.044 tors. eta vs tors. theta energy: -205.689 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: 5 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -2702.815475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.815475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.815475 (E_RNA) where: Base-Base interactions energy: -1894.925 where: short stacking energy: -773.391 Base-Backbone interact. energy: 1.625 local terms energy: -809.516295 where: bonds (distance) C4'-P energy: -155.889 bonds (distance) P-C4' energy: -145.662 flat angles C4'-P-C4' energy: -185.434 flat angles P-C4'-P energy: -110.487 tors. eta vs tors. theta energy: -212.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -2652.778727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.778727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.778727 (E_RNA) where: Base-Base interactions energy: -1845.074 where: short stacking energy: -747.296 Base-Backbone interact. energy: -2.329 local terms energy: -805.376081 where: bonds (distance) C4'-P energy: -134.674 bonds (distance) P-C4' energy: -165.730 flat angles C4'-P-C4' energy: -179.399 flat angles P-C4'-P energy: -114.241 tors. eta vs tors. theta energy: -211.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -2558.305633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.305633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.305633 (E_RNA) where: Base-Base interactions energy: -1784.028 where: short stacking energy: -751.596 Base-Backbone interact. energy: 2.781 local terms energy: -777.058741 where: bonds (distance) C4'-P energy: -148.954 bonds (distance) P-C4' energy: -153.262 flat angles C4'-P-C4' energy: -163.265 flat angles P-C4'-P energy: -91.445 tors. eta vs tors. theta energy: -220.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -2348.397305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.397305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.397305 (E_RNA) where: Base-Base interactions energy: -1635.874 where: short stacking energy: -656.741 Base-Backbone interact. energy: -2.197 local terms energy: -710.326207 where: bonds (distance) C4'-P energy: -141.946 bonds (distance) P-C4' energy: -152.161 flat angles C4'-P-C4' energy: -154.623 flat angles P-C4'-P energy: -98.873 tors. eta vs tors. theta energy: -162.722 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: 6 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -2247.314039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.314039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.314039 (E_RNA) where: Base-Base interactions energy: -1537.085 where: short stacking energy: -662.292 Base-Backbone interact. energy: -2.716 local terms energy: -707.513163 where: bonds (distance) C4'-P energy: -131.068 bonds (distance) P-C4' energy: -146.286 flat angles C4'-P-C4' energy: -150.894 flat angles P-C4'-P energy: -111.254 tors. eta vs tors. theta energy: -168.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -2058.148586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.148586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.148586 (E_RNA) where: Base-Base interactions energy: -1419.844 where: short stacking energy: -616.179 Base-Backbone interact. energy: -1.994 local terms energy: -636.310211 where: bonds (distance) C4'-P energy: -118.283 bonds (distance) P-C4' energy: -136.827 flat angles C4'-P-C4' energy: -143.172 flat angles P-C4'-P energy: -86.715 tors. eta vs tors. theta energy: -151.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -1610.032144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.032144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.032144 (E_RNA) where: Base-Base interactions energy: -1026.683 where: short stacking energy: -438.637 Base-Backbone interact. energy: -2.237 local terms energy: -581.111655 where: bonds (distance) C4'-P energy: -123.188 bonds (distance) P-C4' energy: -148.252 flat angles C4'-P-C4' energy: -137.002 flat angles P-C4'-P energy: -70.559 tors. eta vs tors. theta energy: -102.111 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: 10 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -1071.440546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.440546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.440546 (E_RNA) where: Base-Base interactions energy: -579.053 where: short stacking energy: -288.492 Base-Backbone interact. energy: 4.740 local terms energy: -497.126777 where: bonds (distance) C4'-P energy: -121.635 bonds (distance) P-C4' energy: -150.948 flat angles C4'-P-C4' energy: -142.469 flat angles P-C4'-P energy: -73.776 tors. eta vs tors. theta energy: -8.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2998.518914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.518914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.518914 (E_RNA) where: Base-Base interactions energy: -2124.265 where: short stacking energy: -849.543 Base-Backbone interact. energy: -6.025 local terms energy: -868.228511 where: bonds (distance) C4'-P energy: -159.386 bonds (distance) P-C4' energy: -159.325 flat angles C4'-P-C4' energy: -187.873 flat angles P-C4'-P energy: -129.791 tors. eta vs tors. theta energy: -231.853 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: 7 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -2750.633583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.633583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.633583 (E_RNA) where: Base-Base interactions energy: -1927.844 where: short stacking energy: -783.094 Base-Backbone interact. energy: -5.213 local terms energy: -817.576480 where: bonds (distance) C4'-P energy: -136.118 bonds (distance) P-C4' energy: -165.246 flat angles C4'-P-C4' energy: -186.071 flat angles P-C4'-P energy: -115.193 tors. eta vs tors. theta energy: -214.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -2725.011632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.011632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.011632 (E_RNA) where: Base-Base interactions energy: -1881.429 where: short stacking energy: -808.818 Base-Backbone interact. energy: -4.209 local terms energy: -839.373505 where: bonds (distance) C4'-P energy: -154.241 bonds (distance) P-C4' energy: -163.737 flat angles C4'-P-C4' energy: -173.289 flat angles P-C4'-P energy: -116.062 tors. eta vs tors. theta energy: -232.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -2649.097498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.097498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.097498 (E_RNA) where: Base-Base interactions energy: -1886.737 where: short stacking energy: -754.546 Base-Backbone interact. energy: 1.458 local terms energy: -763.818401 where: bonds (distance) C4'-P energy: -129.111 bonds (distance) P-C4' energy: -167.089 flat angles C4'-P-C4' energy: -166.715 flat angles P-C4'-P energy: -113.050 tors. eta vs tors. theta energy: -187.853 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: 8 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -2587.665769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.665769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.665769 (E_RNA) where: Base-Base interactions energy: -1811.677 where: short stacking energy: -781.246 Base-Backbone interact. energy: -6.288 local terms energy: -769.700795 where: bonds (distance) C4'-P energy: -131.834 bonds (distance) P-C4' energy: -135.522 flat angles C4'-P-C4' energy: -188.703 flat angles P-C4'-P energy: -102.264 tors. eta vs tors. theta energy: -211.378 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: 4 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -2350.681468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.681468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.681468 (E_RNA) where: Base-Base interactions energy: -1648.885 where: short stacking energy: -673.493 Base-Backbone interact. energy: -0.509 local terms energy: -701.286937 where: bonds (distance) C4'-P energy: -136.697 bonds (distance) P-C4' energy: -137.120 flat angles C4'-P-C4' energy: -155.211 flat angles P-C4'-P energy: -103.562 tors. eta vs tors. theta energy: -168.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -2261.627148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.627148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.627148 (E_RNA) where: Base-Base interactions energy: -1563.803 where: short stacking energy: -623.039 Base-Backbone interact. energy: -2.829 local terms energy: -694.994891 where: bonds (distance) C4'-P energy: -148.722 bonds (distance) P-C4' energy: -133.390 flat angles C4'-P-C4' energy: -148.477 flat angles P-C4'-P energy: -105.509 tors. eta vs tors. theta energy: -158.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1987.883799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.883799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.883799 (E_RNA) where: Base-Base interactions energy: -1381.520 where: short stacking energy: -592.620 Base-Backbone interact. energy: -0.389 local terms energy: -605.974286 where: bonds (distance) C4'-P energy: -136.290 bonds (distance) P-C4' energy: -131.309 flat angles C4'-P-C4' energy: -123.804 flat angles P-C4'-P energy: -78.572 tors. eta vs tors. theta energy: -135.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -1658.448413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.448413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.448413 (E_RNA) where: Base-Base interactions energy: -1096.783 where: short stacking energy: -468.041 Base-Backbone interact. energy: 0.028 local terms energy: -561.693352 where: bonds (distance) C4'-P energy: -118.853 bonds (distance) P-C4' energy: -126.922 flat angles C4'-P-C4' energy: -123.530 flat angles P-C4'-P energy: -95.910 tors. eta vs tors. theta energy: -96.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -1065.045768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.045768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.045768 (E_RNA) where: Base-Base interactions energy: -636.930 where: short stacking energy: -327.415 Base-Backbone interact. energy: 5.655 local terms energy: -433.770939 where: bonds (distance) C4'-P energy: -119.381 bonds (distance) P-C4' energy: -137.805 flat angles C4'-P-C4' energy: -88.975 flat angles P-C4'-P energy: -63.885 tors. eta vs tors. theta energy: -23.725 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: 1, replica: 3 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -3025.327364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.327364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.327364 (E_RNA) where: Base-Base interactions energy: -2154.996 where: short stacking energy: -845.519 Base-Backbone interact. energy: -5.580 local terms energy: -864.751942 where: bonds (distance) C4'-P energy: -155.845 bonds (distance) P-C4' energy: -179.682 flat angles C4'-P-C4' energy: -182.123 flat angles P-C4'-P energy: -113.842 tors. eta vs tors. theta energy: -233.260 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: 7 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -2757.037204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.037204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.037204 (E_RNA) where: Base-Base interactions energy: -1919.935 where: short stacking energy: -801.955 Base-Backbone interact. energy: -3.285 local terms energy: -833.816999 where: bonds (distance) C4'-P energy: -136.318 bonds (distance) P-C4' energy: -171.077 flat angles C4'-P-C4' energy: -185.966 flat angles P-C4'-P energy: -110.126 tors. eta vs tors. theta energy: -230.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -2732.683047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.683047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.683047 (E_RNA) where: Base-Base interactions energy: -1921.179 where: short stacking energy: -816.247 Base-Backbone interact. energy: 3.419 local terms energy: -814.923168 where: bonds (distance) C4'-P energy: -158.007 bonds (distance) P-C4' energy: -159.364 flat angles C4'-P-C4' energy: -159.778 flat angles P-C4'-P energy: -109.462 tors. eta vs tors. theta energy: -228.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -2648.965228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.965228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.965228 (E_RNA) where: Base-Base interactions energy: -1841.981 where: short stacking energy: -758.759 Base-Backbone interact. energy: -7.264 local terms energy: -799.720665 where: bonds (distance) C4'-P energy: -160.935 bonds (distance) P-C4' energy: -156.373 flat angles C4'-P-C4' energy: -168.634 flat angles P-C4'-P energy: -107.721 tors. eta vs tors. theta energy: -206.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -2573.739669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.739669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.739669 (E_RNA) where: Base-Base interactions energy: -1759.168 where: short stacking energy: -744.697 Base-Backbone interact. energy: -6.246 local terms energy: -808.325956 where: bonds (distance) C4'-P energy: -131.032 bonds (distance) P-C4' energy: -161.086 flat angles C4'-P-C4' energy: -192.626 flat angles P-C4'-P energy: -120.168 tors. eta vs tors. theta energy: -203.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -2441.296022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.296022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.296022 (E_RNA) where: Base-Base interactions energy: -1705.717 where: short stacking energy: -671.968 Base-Backbone interact. energy: -3.575 local terms energy: -732.004231 where: bonds (distance) C4'-P energy: -148.593 bonds (distance) P-C4' energy: -160.075 flat angles C4'-P-C4' energy: -141.906 flat angles P-C4'-P energy: -101.429 tors. eta vs tors. theta energy: -180.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -2227.351280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.351280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.351280 (E_RNA) where: Base-Base interactions energy: -1531.251 where: short stacking energy: -642.226 Base-Backbone interact. energy: -3.967 local terms energy: -692.133233 where: bonds (distance) C4'-P energy: -118.747 bonds (distance) P-C4' energy: -147.741 flat angles C4'-P-C4' energy: -175.689 flat angles P-C4'-P energy: -100.921 tors. eta vs tors. theta energy: -149.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1966.971090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.971090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.971090 (E_RNA) where: Base-Base interactions energy: -1334.562 where: short stacking energy: -564.413 Base-Backbone interact. energy: 0.798 local terms energy: -633.207084 where: bonds (distance) C4'-P energy: -128.411 bonds (distance) P-C4' energy: -144.116 flat angles C4'-P-C4' energy: -144.969 flat angles P-C4'-P energy: -85.342 tors. eta vs tors. theta energy: -130.369 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: 9, replica: 9 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -1619.477178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.477178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.477178 (E_RNA) where: Base-Base interactions energy: -1081.197 where: short stacking energy: -425.991 Base-Backbone interact. energy: 1.831 local terms energy: -540.110379 where: bonds (distance) C4'-P energy: -129.535 bonds (distance) P-C4' energy: -152.470 flat angles C4'-P-C4' energy: -108.345 flat angles P-C4'-P energy: -80.312 tors. eta vs tors. theta energy: -69.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -1060.691156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.691156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.691156 (E_RNA) where: Base-Base interactions energy: -556.976 where: short stacking energy: -277.430 Base-Backbone interact. energy: -5.263 local terms energy: -498.451867 where: bonds (distance) C4'-P energy: -126.535 bonds (distance) P-C4' energy: -134.101 flat angles C4'-P-C4' energy: -135.455 flat angles P-C4'-P energy: -94.656 tors. eta vs tors. theta energy: -7.706 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: 3 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -3036.611684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.611684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.611684 (E_RNA) where: Base-Base interactions energy: -2155.520 where: short stacking energy: -867.276 Base-Backbone interact. energy: -5.298 local terms energy: -875.794030 where: bonds (distance) C4'-P energy: -158.266 bonds (distance) P-C4' energy: -176.315 flat angles C4'-P-C4' energy: -192.169 flat angles P-C4'-P energy: -117.189 tors. eta vs tors. theta energy: -231.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2832.665352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.665352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.665352 (E_RNA) where: Base-Base interactions energy: -1973.108 where: short stacking energy: -818.669 Base-Backbone interact. energy: -7.442 local terms energy: -852.116059 where: bonds (distance) C4'-P energy: -153.624 bonds (distance) P-C4' energy: -169.874 flat angles C4'-P-C4' energy: -177.315 flat angles P-C4'-P energy: -118.307 tors. eta vs tors. theta energy: -232.997 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: 7 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -2708.303237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.303237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.303237 (E_RNA) where: Base-Base interactions energy: -1911.247 where: short stacking energy: -781.911 Base-Backbone interact. energy: 1.020 local terms energy: -798.076846 where: bonds (distance) C4'-P energy: -141.095 bonds (distance) P-C4' energy: -164.118 flat angles C4'-P-C4' energy: -163.953 flat angles P-C4'-P energy: -110.049 tors. eta vs tors. theta energy: -218.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -2559.835479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.835479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.835479 (E_RNA) where: Base-Base interactions energy: -1750.868 where: short stacking energy: -715.306 Base-Backbone interact. energy: -4.856 local terms energy: -804.111979 where: bonds (distance) C4'-P energy: -155.936 bonds (distance) P-C4' energy: -154.276 flat angles C4'-P-C4' energy: -178.319 flat angles P-C4'-P energy: -122.719 tors. eta vs tors. theta energy: -192.862 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: 1 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -2577.615225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.615225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.615225 (E_RNA) where: Base-Base interactions energy: -1808.656 where: short stacking energy: -735.514 Base-Backbone interact. energy: -6.921 local terms energy: -762.038549 where: bonds (distance) C4'-P energy: -147.337 bonds (distance) P-C4' energy: -132.662 flat angles C4'-P-C4' energy: -158.663 flat angles P-C4'-P energy: -118.492 tors. eta vs tors. theta energy: -204.884 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: 33 Temperature: 1.150000 Total energy: -2470.412066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.412066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.412066 (E_RNA) where: Base-Base interactions energy: -1716.382 where: short stacking energy: -721.222 Base-Backbone interact. energy: -5.386 local terms energy: -748.644057 where: bonds (distance) C4'-P energy: -145.132 bonds (distance) P-C4' energy: -136.541 flat angles C4'-P-C4' energy: -157.853 flat angles P-C4'-P energy: -120.756 tors. eta vs tors. theta energy: -188.362 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: 6 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -2238.245702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.245702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.245702 (E_RNA) where: Base-Base interactions energy: -1541.372 where: short stacking energy: -639.975 Base-Backbone interact. energy: -1.398 local terms energy: -695.475195 where: bonds (distance) C4'-P energy: -143.532 bonds (distance) P-C4' energy: -162.199 flat angles C4'-P-C4' energy: -149.691 flat angles P-C4'-P energy: -88.888 tors. eta vs tors. theta energy: -151.166 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: 2 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1893.514207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.514207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.514207 (E_RNA) where: Base-Base interactions energy: -1252.326 where: short stacking energy: -567.160 Base-Backbone interact. energy: -2.220 local terms energy: -638.968278 where: bonds (distance) C4'-P energy: -125.390 bonds (distance) P-C4' energy: -148.974 flat angles C4'-P-C4' energy: -151.742 flat angles P-C4'-P energy: -89.329 tors. eta vs tors. theta energy: -123.533 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: 33 Temperature: 1.300000 Total energy: -1556.804709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.804709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.804709 (E_RNA) where: Base-Base interactions energy: -1002.227 where: short stacking energy: -431.232 Base-Backbone interact. energy: -1.979 local terms energy: -552.598527 where: bonds (distance) C4'-P energy: -111.343 bonds (distance) P-C4' energy: -161.431 flat angles C4'-P-C4' energy: -127.875 flat angles P-C4'-P energy: -78.276 tors. eta vs tors. theta energy: -73.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -1139.176710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.176710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.176710 (E_RNA) where: Base-Base interactions energy: -671.785 where: short stacking energy: -322.749 Base-Backbone interact. energy: 4.584 local terms energy: -471.976278 where: bonds (distance) C4'-P energy: -123.711 bonds (distance) P-C4' energy: -131.360 flat angles C4'-P-C4' energy: -117.836 flat angles P-C4'-P energy: -75.598 tors. eta vs tors. theta energy: -23.471 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: 3 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -3053.853265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.853265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.853265 (E_RNA) where: Base-Base interactions energy: -2192.715 where: short stacking energy: -869.996 Base-Backbone interact. energy: -3.464 local terms energy: -857.674347 where: bonds (distance) C4'-P energy: -151.947 bonds (distance) P-C4' energy: -151.494 flat angles C4'-P-C4' energy: -180.983 flat angles P-C4'-P energy: -128.980 tors. eta vs tors. theta energy: -244.270 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: 34 Temperature: 0.950000 Total energy: -2842.280780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.280780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.280780 (E_RNA) where: Base-Base interactions energy: -2008.440 where: short stacking energy: -818.092 Base-Backbone interact. energy: -3.222 local terms energy: -830.618655 where: bonds (distance) C4'-P energy: -136.696 bonds (distance) P-C4' energy: -150.094 flat angles C4'-P-C4' energy: -176.282 flat angles P-C4'-P energy: -128.986 tors. eta vs tors. theta energy: -238.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -2749.264771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.264771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.264771 (E_RNA) where: Base-Base interactions energy: -1931.887 where: short stacking energy: -816.961 Base-Backbone interact. energy: -3.295 local terms energy: -814.083160 where: bonds (distance) C4'-P energy: -128.417 bonds (distance) P-C4' energy: -167.987 flat angles C4'-P-C4' energy: -157.441 flat angles P-C4'-P energy: -119.910 tors. eta vs tors. theta energy: -240.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -2628.628731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.628731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.628731 (E_RNA) where: Base-Base interactions energy: -1802.546 where: short stacking energy: -753.381 Base-Backbone interact. energy: -2.671 local terms energy: -823.411677 where: bonds (distance) C4'-P energy: -156.484 bonds (distance) P-C4' energy: -156.752 flat angles C4'-P-C4' energy: -166.112 flat angles P-C4'-P energy: -126.346 tors. eta vs tors. theta energy: -217.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -2604.825473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.825473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.825473 (E_RNA) where: Base-Base interactions energy: -1801.498 where: short stacking energy: -738.272 Base-Backbone interact. energy: -5.673 local terms energy: -797.654413 where: bonds (distance) C4'-P energy: -148.884 bonds (distance) P-C4' energy: -169.770 flat angles C4'-P-C4' energy: -173.233 flat angles P-C4'-P energy: -96.906 tors. eta vs tors. theta energy: -208.861 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: 4 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -2446.352865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.352865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.352865 (E_RNA) where: Base-Base interactions energy: -1699.543 where: short stacking energy: -723.773 Base-Backbone interact. energy: -2.850 local terms energy: -743.959934 where: bonds (distance) C4'-P energy: -125.774 bonds (distance) P-C4' energy: -145.957 flat angles C4'-P-C4' energy: -157.693 flat angles P-C4'-P energy: -111.529 tors. eta vs tors. theta energy: -203.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -2224.237588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.237588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.237588 (E_RNA) where: Base-Base interactions energy: -1541.120 where: short stacking energy: -624.366 Base-Backbone interact. energy: -5.226 local terms energy: -677.891552 where: bonds (distance) C4'-P energy: -136.071 bonds (distance) P-C4' energy: -142.370 flat angles C4'-P-C4' energy: -149.172 flat angles P-C4'-P energy: -97.422 tors. eta vs tors. theta energy: -152.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1918.558399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.558399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.558399 (E_RNA) where: Base-Base interactions energy: -1272.575 where: short stacking energy: -554.073 Base-Backbone interact. energy: -1.923 local terms energy: -644.060342 where: bonds (distance) C4'-P energy: -139.826 bonds (distance) P-C4' energy: -136.609 flat angles C4'-P-C4' energy: -150.181 flat angles P-C4'-P energy: -75.451 tors. eta vs tors. theta energy: -141.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -1525.188236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.188236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.188236 (E_RNA) where: Base-Base interactions energy: -990.232 where: short stacking energy: -430.766 Base-Backbone interact. energy: 10.955 local terms energy: -545.911339 where: bonds (distance) C4'-P energy: -108.739 bonds (distance) P-C4' energy: -129.418 flat angles C4'-P-C4' energy: -135.866 flat angles P-C4'-P energy: -96.510 tors. eta vs tors. theta energy: -75.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -1147.128961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.128961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.128961 (E_RNA) where: Base-Base interactions energy: -662.846 where: short stacking energy: -334.630 Base-Backbone interact. energy: 1.367 local terms energy: -485.650061 where: bonds (distance) C4'-P energy: -109.300 bonds (distance) P-C4' energy: -148.104 flat angles C4'-P-C4' energy: -130.531 flat angles P-C4'-P energy: -68.704 tors. eta vs tors. theta energy: -29.012 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: 35 Temperature: 0.900000 Total energy: -3032.473059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.473059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.473059 (E_RNA) where: Base-Base interactions energy: -2155.905 where: short stacking energy: -842.745 Base-Backbone interact. energy: -4.239 local terms energy: -872.328317 where: bonds (distance) C4'-P energy: -148.370 bonds (distance) P-C4' energy: -166.732 flat angles C4'-P-C4' energy: -189.809 flat angles P-C4'-P energy: -118.379 tors. eta vs tors. theta energy: -249.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2800.598349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.598349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.598349 (E_RNA) where: Base-Base interactions energy: -1965.375 where: short stacking energy: -826.245 Base-Backbone interact. energy: -0.973 local terms energy: -834.249673 where: bonds (distance) C4'-P energy: -150.986 bonds (distance) P-C4' energy: -148.665 flat angles C4'-P-C4' energy: -186.532 flat angles P-C4'-P energy: -118.964 tors. eta vs tors. theta energy: -229.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -2680.045952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.045952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.045952 (E_RNA) where: Base-Base interactions energy: -1873.279 where: short stacking energy: -776.814 Base-Backbone interact. energy: -4.600 local terms energy: -802.167189 where: bonds (distance) C4'-P energy: -153.614 bonds (distance) P-C4' energy: -158.947 flat angles C4'-P-C4' energy: -175.982 flat angles P-C4'-P energy: -101.289 tors. eta vs tors. theta energy: -212.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -2658.647039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.647039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.647039 (E_RNA) where: Base-Base interactions energy: -1855.188 where: short stacking energy: -765.275 Base-Backbone interact. energy: 1.553 local terms energy: -805.012090 where: bonds (distance) C4'-P energy: -148.372 bonds (distance) P-C4' energy: -167.317 flat angles C4'-P-C4' energy: -165.833 flat angles P-C4'-P energy: -117.009 tors. eta vs tors. theta energy: -206.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -2504.062225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.062225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.062225 (E_RNA) where: Base-Base interactions energy: -1732.140 where: short stacking energy: -716.354 Base-Backbone interact. energy: -2.260 local terms energy: -769.662362 where: bonds (distance) C4'-P energy: -141.631 bonds (distance) P-C4' energy: -146.743 flat angles C4'-P-C4' energy: -185.245 flat angles P-C4'-P energy: -102.812 tors. eta vs tors. theta energy: -193.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -2469.405047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.405047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.405047 (E_RNA) where: Base-Base interactions energy: -1726.847 where: short stacking energy: -729.780 Base-Backbone interact. energy: -1.319 local terms energy: -741.239413 where: bonds (distance) C4'-P energy: -136.512 bonds (distance) P-C4' energy: -142.677 flat angles C4'-P-C4' energy: -168.412 flat angles P-C4'-P energy: -103.715 tors. eta vs tors. theta energy: -189.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -2169.262964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.262964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.262964 (E_RNA) where: Base-Base interactions energy: -1469.992 where: short stacking energy: -616.414 Base-Backbone interact. energy: -2.439 local terms energy: -696.832223 where: bonds (distance) C4'-P energy: -129.033 bonds (distance) P-C4' energy: -143.179 flat angles C4'-P-C4' energy: -155.443 flat angles P-C4'-P energy: -101.913 tors. eta vs tors. theta energy: -167.265 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: 8, replica: 2 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -2000.929478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.929478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.929478 (E_RNA) where: Base-Base interactions energy: -1346.797 where: short stacking energy: -559.704 Base-Backbone interact. energy: -4.700 local terms energy: -649.432603 where: bonds (distance) C4'-P energy: -149.560 bonds (distance) P-C4' energy: -145.319 flat angles C4'-P-C4' energy: -147.022 flat angles P-C4'-P energy: -83.872 tors. eta vs tors. theta energy: -123.660 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: 9 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -1535.829191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.829191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.829191 (E_RNA) where: Base-Base interactions energy: -957.502 where: short stacking energy: -422.021 Base-Backbone interact. energy: -6.445 local terms energy: -571.882297 where: bonds (distance) C4'-P energy: -109.464 bonds (distance) P-C4' energy: -158.410 flat angles C4'-P-C4' energy: -142.754 flat angles P-C4'-P energy: -86.133 tors. eta vs tors. theta energy: -75.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -1127.740001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.740001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.740001 (E_RNA) where: Base-Base interactions energy: -632.552 where: short stacking energy: -303.897 Base-Backbone interact. energy: 3.301 local terms energy: -498.489462 where: bonds (distance) C4'-P energy: -129.581 bonds (distance) P-C4' energy: -160.549 flat angles C4'-P-C4' energy: -131.745 flat angles P-C4'-P energy: -63.512 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: 3 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -3061.897786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.897786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.897786 (E_RNA) where: Base-Base interactions energy: -2201.076 where: short stacking energy: -879.057 Base-Backbone interact. energy: -0.657 local terms energy: -860.164657 where: bonds (distance) C4'-P energy: -147.086 bonds (distance) P-C4' energy: -169.148 flat angles C4'-P-C4' energy: -184.453 flat angles P-C4'-P energy: -115.692 tors. eta vs tors. theta energy: -243.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2772.629754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.629754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.629754 (E_RNA) where: Base-Base interactions energy: -1942.336 where: short stacking energy: -795.934 Base-Backbone interact. energy: -4.660 local terms energy: -825.634047 where: bonds (distance) C4'-P energy: -136.388 bonds (distance) P-C4' energy: -153.731 flat angles C4'-P-C4' energy: -186.244 flat angles P-C4'-P energy: -112.917 tors. eta vs tors. theta energy: -236.354 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: 36 Temperature: 1.000000 Total energy: -2722.653292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.653292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.653292 (E_RNA) where: Base-Base interactions energy: -1918.714 where: short stacking energy: -799.975 Base-Backbone interact. energy: -6.596 local terms energy: -797.342683 where: bonds (distance) C4'-P energy: -142.573 bonds (distance) P-C4' energy: -161.549 flat angles C4'-P-C4' energy: -161.813 flat angles P-C4'-P energy: -111.858 tors. eta vs tors. theta energy: -219.549 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: 4, replica: 7 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -2631.260210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.260210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.260210 (E_RNA) where: Base-Base interactions energy: -1818.204 where: short stacking energy: -743.612 Base-Backbone interact. energy: -0.018 local terms energy: -813.038060 where: bonds (distance) C4'-P energy: -142.355 bonds (distance) P-C4' energy: -157.537 flat angles C4'-P-C4' energy: -170.268 flat angles P-C4'-P energy: -121.079 tors. eta vs tors. theta energy: -221.799 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: 5, replica: 8 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -2526.180752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.180752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.180752 (E_RNA) where: Base-Base interactions energy: -1759.667 where: short stacking energy: -732.568 Base-Backbone interact. energy: -2.508 local terms energy: -764.005386 where: bonds (distance) C4'-P energy: -134.396 bonds (distance) P-C4' energy: -141.110 flat angles C4'-P-C4' energy: -169.626 flat angles P-C4'-P energy: -102.076 tors. eta vs tors. theta energy: -216.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -2477.923084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.923084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.923084 (E_RNA) where: Base-Base interactions energy: -1722.711 where: short stacking energy: -715.828 Base-Backbone interact. energy: 0.271 local terms energy: -755.483363 where: bonds (distance) C4'-P energy: -128.905 bonds (distance) P-C4' energy: -158.865 flat angles C4'-P-C4' energy: -169.849 flat angles P-C4'-P energy: -100.786 tors. eta vs tors. theta energy: -197.078 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: 6 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -2186.966160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.966160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.966160 (E_RNA) where: Base-Base interactions energy: -1492.880 where: short stacking energy: -642.962 Base-Backbone interact. energy: -1.959 local terms energy: -692.127283 where: bonds (distance) C4'-P energy: -134.619 bonds (distance) P-C4' energy: -137.198 flat angles C4'-P-C4' energy: -146.475 flat angles P-C4'-P energy: -102.496 tors. eta vs tors. theta energy: -171.339 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: 8, replica: 2 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1964.195020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.195020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.195020 (E_RNA) where: Base-Base interactions energy: -1310.886 where: short stacking energy: -585.444 Base-Backbone interact. energy: 3.141 local terms energy: -656.449837 where: bonds (distance) C4'-P energy: -121.367 bonds (distance) P-C4' energy: -152.704 flat angles C4'-P-C4' energy: -143.748 flat angles P-C4'-P energy: -98.951 tors. eta vs tors. theta energy: -139.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -1569.897312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.897312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.897312 (E_RNA) where: Base-Base interactions energy: -1019.090 where: short stacking energy: -463.978 Base-Backbone interact. energy: -4.669 local terms energy: -546.139065 where: bonds (distance) C4'-P energy: -115.633 bonds (distance) P-C4' energy: -112.938 flat angles C4'-P-C4' energy: -127.293 flat angles P-C4'-P energy: -87.627 tors. eta vs tors. theta energy: -102.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -1063.201268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.201268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.201268 (E_RNA) where: Base-Base interactions energy: -586.214 where: short stacking energy: -287.649 Base-Backbone interact. energy: 2.476 local terms energy: -479.462928 where: bonds (distance) C4'-P energy: -131.361 bonds (distance) P-C4' energy: -143.825 flat angles C4'-P-C4' energy: -103.712 flat angles P-C4'-P energy: -80.121 tors. eta vs tors. theta energy: -20.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -3046.244549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.244549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.244549 (E_RNA) where: Base-Base interactions energy: -2170.918 where: short stacking energy: -870.014 Base-Backbone interact. energy: -4.030 local terms energy: -871.296675 where: bonds (distance) C4'-P energy: -156.522 bonds (distance) P-C4' energy: -178.012 flat angles C4'-P-C4' energy: -176.820 flat angles P-C4'-P energy: -114.481 tors. eta vs tors. theta energy: -245.462 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: 37 Temperature: 0.950000 Total energy: -2800.826079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.826079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.826079 (E_RNA) where: Base-Base interactions energy: -1934.122 where: short stacking energy: -813.048 Base-Backbone interact. energy: -0.018 local terms energy: -866.685945 where: bonds (distance) C4'-P energy: -158.226 bonds (distance) P-C4' energy: -170.243 flat angles C4'-P-C4' energy: -180.311 flat angles P-C4'-P energy: -128.824 tors. eta vs tors. theta energy: -229.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -2728.938328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.938328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.938328 (E_RNA) where: Base-Base interactions energy: -1866.948 where: short stacking energy: -798.559 Base-Backbone interact. energy: -1.914 local terms energy: -860.075894 where: bonds (distance) C4'-P energy: -158.679 bonds (distance) P-C4' energy: -163.400 flat angles C4'-P-C4' energy: -173.494 flat angles P-C4'-P energy: -138.617 tors. eta vs tors. theta energy: -225.886 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: 7 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -2606.574168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.574168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.574168 (E_RNA) where: Base-Base interactions energy: -1796.877 where: short stacking energy: -744.050 Base-Backbone interact. energy: 1.511 local terms energy: -811.207446 where: bonds (distance) C4'-P energy: -148.519 bonds (distance) P-C4' energy: -164.574 flat angles C4'-P-C4' energy: -168.218 flat angles P-C4'-P energy: -117.276 tors. eta vs tors. theta energy: -212.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -2485.441581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.441581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.441581 (E_RNA) where: Base-Base interactions energy: -1720.141 where: short stacking energy: -717.596 Base-Backbone interact. energy: -1.993 local terms energy: -763.308411 where: bonds (distance) C4'-P energy: -139.731 bonds (distance) P-C4' energy: -146.776 flat angles C4'-P-C4' energy: -174.614 flat angles P-C4'-P energy: -112.639 tors. eta vs tors. theta energy: -189.549 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: 37 Temperature: 1.150000 Total energy: -2451.627468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.627468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.627468 (E_RNA) where: Base-Base interactions energy: -1707.073 where: short stacking energy: -699.902 Base-Backbone interact. energy: -5.245 local terms energy: -739.309598 where: bonds (distance) C4'-P energy: -130.243 bonds (distance) P-C4' energy: -137.853 flat angles C4'-P-C4' energy: -164.781 flat angles P-C4'-P energy: -113.194 tors. eta vs tors. theta energy: -193.239 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: 6 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -2230.500548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.500548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.500548 (E_RNA) where: Base-Base interactions energy: -1516.097 where: short stacking energy: -637.116 Base-Backbone interact. energy: -5.099 local terms energy: -709.304203 where: bonds (distance) C4'-P energy: -116.552 bonds (distance) P-C4' energy: -151.075 flat angles C4'-P-C4' energy: -162.780 flat angles P-C4'-P energy: -94.991 tors. eta vs tors. theta energy: -183.907 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: 8, replica: 2 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1937.539892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.539892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.539892 (E_RNA) where: Base-Base interactions energy: -1273.314 where: short stacking energy: -558.334 Base-Backbone interact. energy: 0.400 local terms energy: -664.626584 where: bonds (distance) C4'-P energy: -137.036 bonds (distance) P-C4' energy: -131.122 flat angles C4'-P-C4' energy: -150.576 flat angles P-C4'-P energy: -111.887 tors. eta vs tors. theta energy: -134.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -1453.464571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.464571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.464571 (E_RNA) where: Base-Base interactions energy: -896.590 where: short stacking energy: -404.764 Base-Backbone interact. energy: 5.570 local terms energy: -562.444031 where: bonds (distance) C4'-P energy: -123.696 bonds (distance) P-C4' energy: -157.048 flat angles C4'-P-C4' energy: -143.756 flat angles P-C4'-P energy: -80.593 tors. eta vs tors. theta energy: -57.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -1056.847302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.847302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.847302 (E_RNA) where: Base-Base interactions energy: -555.278 where: short stacking energy: -249.246 Base-Backbone interact. energy: -0.112 local terms energy: -501.457134 where: bonds (distance) C4'-P energy: -148.202 bonds (distance) P-C4' energy: -136.286 flat angles C4'-P-C4' energy: -137.855 flat angles P-C4'-P energy: -74.038 tors. eta vs tors. theta energy: -5.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -3072.527245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.527245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.527245 (E_RNA) where: Base-Base interactions energy: -2176.752 where: short stacking energy: -874.566 Base-Backbone interact. energy: -4.485 local terms energy: -891.290579 where: bonds (distance) C4'-P energy: -153.460 bonds (distance) P-C4' energy: -169.077 flat angles C4'-P-C4' energy: -186.751 flat angles P-C4'-P energy: -122.446 tors. eta vs tors. theta energy: -259.557 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: 1 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2803.005289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.005289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.005289 (E_RNA) where: Base-Base interactions energy: -1958.426 where: short stacking energy: -837.440 Base-Backbone interact. energy: -4.643 local terms energy: -839.936930 where: bonds (distance) C4'-P energy: -149.930 bonds (distance) P-C4' energy: -155.577 flat angles C4'-P-C4' energy: -185.636 flat angles P-C4'-P energy: -127.066 tors. eta vs tors. theta energy: -221.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -2712.700834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.700834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.700834 (E_RNA) where: Base-Base interactions energy: -1858.688 where: short stacking energy: -784.578 Base-Backbone interact. energy: -0.884 local terms energy: -853.128807 where: bonds (distance) C4'-P energy: -147.047 bonds (distance) P-C4' energy: -179.073 flat angles C4'-P-C4' energy: -172.491 flat angles P-C4'-P energy: -126.766 tors. eta vs tors. theta energy: -227.752 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: 4, replica: 7 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -2582.234925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.234925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.234925 (E_RNA) where: Base-Base interactions energy: -1807.945 where: short stacking energy: -744.075 Base-Backbone interact. energy: -1.229 local terms energy: -773.060826 where: bonds (distance) C4'-P energy: -137.099 bonds (distance) P-C4' energy: -167.794 flat angles C4'-P-C4' energy: -157.825 flat angles P-C4'-P energy: -110.113 tors. eta vs tors. theta energy: -200.230 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: 5, replica: 4 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -2491.562050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.562050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.562050 (E_RNA) where: Base-Base interactions energy: -1709.930 where: short stacking energy: -701.934 Base-Backbone interact. energy: -1.995 local terms energy: -779.637643 where: bonds (distance) C4'-P energy: -137.543 bonds (distance) P-C4' energy: -166.579 flat angles C4'-P-C4' energy: -169.952 flat angles P-C4'-P energy: -115.884 tors. eta vs tors. theta energy: -189.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -2437.853602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.853602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.853602 (E_RNA) where: Base-Base interactions energy: -1709.984 where: short stacking energy: -727.141 Base-Backbone interact. energy: -3.197 local terms energy: -724.672511 where: bonds (distance) C4'-P energy: -133.458 bonds (distance) P-C4' energy: -144.386 flat angles C4'-P-C4' energy: -162.783 flat angles P-C4'-P energy: -100.796 tors. eta vs tors. theta energy: -183.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -2240.498663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.498663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.498663 (E_RNA) where: Base-Base interactions energy: -1528.285 where: short stacking energy: -653.449 Base-Backbone interact. energy: -0.497 local terms energy: -711.716820 where: bonds (distance) C4'-P energy: -132.825 bonds (distance) P-C4' energy: -134.784 flat angles C4'-P-C4' energy: -159.881 flat angles P-C4'-P energy: -101.138 tors. eta vs tors. theta energy: -183.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1923.528633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.528633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.528633 (E_RNA) where: Base-Base interactions energy: -1303.613 where: short stacking energy: -568.764 Base-Backbone interact. energy: 0.946 local terms energy: -620.861326 where: bonds (distance) C4'-P energy: -127.947 bonds (distance) P-C4' energy: -125.087 flat angles C4'-P-C4' energy: -123.325 flat angles P-C4'-P energy: -104.320 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: 9, replica: 9 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -1461.595339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.595339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.595339 (E_RNA) where: Base-Base interactions energy: -934.727 where: short stacking energy: -409.051 Base-Backbone interact. energy: 1.268 local terms energy: -528.136311 where: bonds (distance) C4'-P energy: -120.849 bonds (distance) P-C4' energy: -125.663 flat angles C4'-P-C4' energy: -133.927 flat angles P-C4'-P energy: -79.511 tors. eta vs tors. theta energy: -68.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -1070.998298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.998298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.998298 (E_RNA) where: Base-Base interactions energy: -626.728 where: short stacking energy: -298.616 Base-Backbone interact. energy: 1.957 local terms energy: -446.227017 where: bonds (distance) C4'-P energy: -137.552 bonds (distance) P-C4' energy: -137.589 flat angles C4'-P-C4' energy: -92.267 flat angles P-C4'-P energy: -68.690 tors. eta vs tors. theta energy: -10.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -3081.918871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.918871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.918871 (E_RNA) where: Base-Base interactions energy: -2200.627 where: short stacking energy: -850.492 Base-Backbone interact. energy: -0.627 local terms energy: -880.664346 where: bonds (distance) C4'-P energy: -152.277 bonds (distance) P-C4' energy: -181.047 flat angles C4'-P-C4' energy: -193.458 flat angles P-C4'-P energy: -110.718 tors. eta vs tors. theta energy: -243.164 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: 1 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2802.994900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.994900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.994900 (E_RNA) where: Base-Base interactions energy: -1944.606 where: short stacking energy: -835.040 Base-Backbone interact. energy: -5.743 local terms energy: -852.645972 where: bonds (distance) C4'-P energy: -160.734 bonds (distance) P-C4' energy: -169.290 flat angles C4'-P-C4' energy: -176.664 flat angles P-C4'-P energy: -113.486 tors. eta vs tors. theta energy: -232.472 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: 5 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2747.936014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.936014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.936014 (E_RNA) where: Base-Base interactions energy: -1927.395 where: short stacking energy: -807.933 Base-Backbone interact. energy: -3.528 local terms energy: -817.012805 where: bonds (distance) C4'-P energy: -125.065 bonds (distance) P-C4' energy: -171.417 flat angles C4'-P-C4' energy: -170.732 flat angles P-C4'-P energy: -122.464 tors. eta vs tors. theta energy: -227.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -2631.255487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.255487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.255487 (E_RNA) where: Base-Base interactions energy: -1842.247 where: short stacking energy: -741.384 Base-Backbone interact. energy: -4.003 local terms energy: -785.006051 where: bonds (distance) C4'-P energy: -155.903 bonds (distance) P-C4' energy: -152.166 flat angles C4'-P-C4' energy: -179.457 flat angles P-C4'-P energy: -93.995 tors. eta vs tors. theta energy: -203.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -2483.120511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.120511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.120511 (E_RNA) where: Base-Base interactions energy: -1746.963 where: short stacking energy: -695.421 Base-Backbone interact. energy: -5.081 local terms energy: -731.076399 where: bonds (distance) C4'-P energy: -128.595 bonds (distance) P-C4' energy: -159.895 flat angles C4'-P-C4' energy: -156.430 flat angles P-C4'-P energy: -103.308 tors. eta vs tors. theta energy: -182.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -2443.248061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.248061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.248061 (E_RNA) where: Base-Base interactions energy: -1696.904 where: short stacking energy: -712.688 Base-Backbone interact. energy: -2.710 local terms energy: -743.633823 where: bonds (distance) C4'-P energy: -140.068 bonds (distance) P-C4' energy: -149.635 flat angles C4'-P-C4' energy: -152.719 flat angles P-C4'-P energy: -98.174 tors. eta vs tors. theta energy: -203.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -2225.355288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.355288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.355288 (E_RNA) where: Base-Base interactions energy: -1521.937 where: short stacking energy: -654.857 Base-Backbone interact. energy: -0.885 local terms energy: -702.534016 where: bonds (distance) C4'-P energy: -129.341 bonds (distance) P-C4' energy: -143.096 flat angles C4'-P-C4' energy: -162.617 flat angles P-C4'-P energy: -88.723 tors. eta vs tors. theta energy: -178.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1909.574343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.574343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.574343 (E_RNA) where: Base-Base interactions energy: -1255.657 where: short stacking energy: -524.764 Base-Backbone interact. energy: -3.944 local terms energy: -649.973907 where: bonds (distance) C4'-P energy: -136.679 bonds (distance) P-C4' energy: -134.235 flat angles C4'-P-C4' energy: -164.825 flat angles P-C4'-P energy: -90.656 tors. eta vs tors. theta energy: -123.579 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: 39 Temperature: 1.300000 Total energy: -1511.630932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.630932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.630932 (E_RNA) where: Base-Base interactions energy: -965.647 where: short stacking energy: -446.888 Base-Backbone interact. energy: -1.322 local terms energy: -544.662206 where: bonds (distance) C4'-P energy: -110.119 bonds (distance) P-C4' energy: -130.985 flat angles C4'-P-C4' energy: -136.653 flat angles P-C4'-P energy: -88.202 tors. eta vs tors. theta energy: -78.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -1064.429215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.429215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.429215 (E_RNA) where: Base-Base interactions energy: -624.090 where: short stacking energy: -300.338 Base-Backbone interact. energy: 8.339 local terms energy: -448.678447 where: bonds (distance) C4'-P energy: -122.770 bonds (distance) P-C4' energy: -132.683 flat angles C4'-P-C4' energy: -111.301 flat angles P-C4'-P energy: -70.141 tors. eta vs tors. theta energy: -11.783 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: 1, replica: 3 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -3063.633244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.633244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.633244 (E_RNA) where: Base-Base interactions energy: -2168.930 where: short stacking energy: -873.839 Base-Backbone interact. energy: -2.911 local terms energy: -891.791991 where: bonds (distance) C4'-P energy: -153.267 bonds (distance) P-C4' energy: -168.750 flat angles C4'-P-C4' energy: -187.379 flat angles P-C4'-P energy: -120.135 tors. eta vs tors. theta energy: -262.261 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: 1 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2861.616886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.616886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.616886 (E_RNA) where: Base-Base interactions energy: -2012.325 where: short stacking energy: -832.482 Base-Backbone interact. energy: -4.888 local terms energy: -844.403591 where: bonds (distance) C4'-P energy: -146.318 bonds (distance) P-C4' energy: -167.762 flat angles C4'-P-C4' energy: -175.338 flat angles P-C4'-P energy: -121.640 tors. eta vs tors. theta energy: -233.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2734.090878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.090878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.090878 (E_RNA) where: Base-Base interactions energy: -1898.699 where: short stacking energy: -799.389 Base-Backbone interact. energy: -2.701 local terms energy: -832.691156 where: bonds (distance) C4'-P energy: -142.639 bonds (distance) P-C4' energy: -171.752 flat angles C4'-P-C4' energy: -172.951 flat angles P-C4'-P energy: -129.953 tors. eta vs tors. theta energy: -215.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -2614.593234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.593234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.593234 (E_RNA) where: Base-Base interactions energy: -1817.718 where: short stacking energy: -769.352 Base-Backbone interact. energy: -4.714 local terms energy: -792.161326 where: bonds (distance) C4'-P energy: -140.939 bonds (distance) P-C4' energy: -149.763 flat angles C4'-P-C4' energy: -171.095 flat angles P-C4'-P energy: -118.657 tors. eta vs tors. theta energy: -211.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -2503.189980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.189980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.189980 (E_RNA) where: Base-Base interactions energy: -1735.599 where: short stacking energy: -675.308 Base-Backbone interact. energy: -6.356 local terms energy: -761.235383 where: bonds (distance) C4'-P energy: -152.407 bonds (distance) P-C4' energy: -149.895 flat angles C4'-P-C4' energy: -158.756 flat angles P-C4'-P energy: -107.403 tors. eta vs tors. theta energy: -192.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -2433.147756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.147756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.147756 (E_RNA) where: Base-Base interactions energy: -1683.899 where: short stacking energy: -727.820 Base-Backbone interact. energy: 3.133 local terms energy: -752.381826 where: bonds (distance) C4'-P energy: -145.298 bonds (distance) P-C4' energy: -160.128 flat angles C4'-P-C4' energy: -149.403 flat angles P-C4'-P energy: -101.228 tors. eta vs tors. theta energy: -196.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -2271.689631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.689631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.689631 (E_RNA) where: Base-Base interactions energy: -1561.489 where: short stacking energy: -634.163 Base-Backbone interact. energy: 2.697 local terms energy: -712.897303 where: bonds (distance) C4'-P energy: -106.448 bonds (distance) P-C4' energy: -137.978 flat angles C4'-P-C4' energy: -176.536 flat angles P-C4'-P energy: -113.029 tors. eta vs tors. theta energy: -178.907 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: 8, replica: 2 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1947.801278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.801278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.801278 (E_RNA) where: Base-Base interactions energy: -1299.585 where: short stacking energy: -571.953 Base-Backbone interact. energy: -0.874 local terms energy: -647.342266 where: bonds (distance) C4'-P energy: -124.499 bonds (distance) P-C4' energy: -141.519 flat angles C4'-P-C4' energy: -153.357 flat angles P-C4'-P energy: -86.203 tors. eta vs tors. theta energy: -141.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -1485.143124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.143124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.143124 (E_RNA) where: Base-Base interactions energy: -943.552 where: short stacking energy: -400.633 Base-Backbone interact. energy: 0.463 local terms energy: -542.054044 where: bonds (distance) C4'-P energy: -122.252 bonds (distance) P-C4' energy: -147.033 flat angles C4'-P-C4' energy: -132.416 flat angles P-C4'-P energy: -76.851 tors. eta vs tors. theta energy: -63.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -1136.802933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.802933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.802933 (E_RNA) where: Base-Base interactions energy: -672.494 where: short stacking energy: -331.545 Base-Backbone interact. energy: 0.809 local terms energy: -465.117483 where: bonds (distance) C4'-P energy: -132.121 bonds (distance) P-C4' energy: -132.444 flat angles C4'-P-C4' energy: -123.886 flat angles P-C4'-P energy: -46.810 tors. eta vs tors. theta energy: -29.856 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: 41 Temperature: 0.900000 Total energy: -3040.881890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.881890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.881890 (E_RNA) where: Base-Base interactions energy: -2152.110 where: short stacking energy: -865.304 Base-Backbone interact. energy: -6.799 local terms energy: -881.973193 where: bonds (distance) C4'-P energy: -152.445 bonds (distance) P-C4' energy: -185.187 flat angles C4'-P-C4' energy: -170.117 flat angles P-C4'-P energy: -127.337 tors. eta vs tors. theta energy: -246.887 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: 1 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2845.058214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.058214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.058214 (E_RNA) where: Base-Base interactions energy: -1999.441 where: short stacking energy: -826.194 Base-Backbone interact. energy: -2.497 local terms energy: -843.120223 where: bonds (distance) C4'-P energy: -154.955 bonds (distance) P-C4' energy: -171.810 flat angles C4'-P-C4' energy: -176.753 flat angles P-C4'-P energy: -119.409 tors. eta vs tors. theta energy: -220.193 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: 5 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -2705.412995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.412995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.412995 (E_RNA) where: Base-Base interactions energy: -1882.707 where: short stacking energy: -806.660 Base-Backbone interact. energy: 0.589 local terms energy: -823.295065 where: bonds (distance) C4'-P energy: -157.602 bonds (distance) P-C4' energy: -138.398 flat angles C4'-P-C4' energy: -181.850 flat angles P-C4'-P energy: -112.427 tors. eta vs tors. theta energy: -233.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -2630.085245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.085245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.085245 (E_RNA) where: Base-Base interactions energy: -1858.143 where: short stacking energy: -751.129 Base-Backbone interact. energy: -6.047 local terms energy: -765.895801 where: bonds (distance) C4'-P energy: -126.148 bonds (distance) P-C4' energy: -147.724 flat angles C4'-P-C4' energy: -174.711 flat angles P-C4'-P energy: -109.653 tors. eta vs tors. theta energy: -207.659 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: 4 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -2510.690918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.690918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.690918 (E_RNA) where: Base-Base interactions energy: -1748.038 where: short stacking energy: -706.552 Base-Backbone interact. energy: -4.421 local terms energy: -758.232022 where: bonds (distance) C4'-P energy: -154.224 bonds (distance) P-C4' energy: -158.277 flat angles C4'-P-C4' energy: -154.143 flat angles P-C4'-P energy: -108.576 tors. eta vs tors. theta energy: -183.013 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: 6, replica: 8 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -2427.714964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.714964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.714964 (E_RNA) where: Base-Base interactions energy: -1689.401 where: short stacking energy: -696.786 Base-Backbone interact. energy: -3.708 local terms energy: -734.606171 where: bonds (distance) C4'-P energy: -147.025 bonds (distance) P-C4' energy: -147.834 flat angles C4'-P-C4' energy: -160.958 flat angles P-C4'-P energy: -104.476 tors. eta vs tors. theta energy: -174.313 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: 41 Temperature: 1.200000 Total energy: -2190.844822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.844822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.844822 (E_RNA) where: Base-Base interactions energy: -1510.825 where: short stacking energy: -633.825 Base-Backbone interact. energy: 1.737 local terms energy: -681.756684 where: bonds (distance) C4'-P energy: -141.754 bonds (distance) P-C4' energy: -141.491 flat angles C4'-P-C4' energy: -146.937 flat angles P-C4'-P energy: -91.626 tors. eta vs tors. theta energy: -159.949 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: 2 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1918.220791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.220791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.220791 (E_RNA) where: Base-Base interactions energy: -1273.563 where: short stacking energy: -549.051 Base-Backbone interact. energy: 4.008 local terms energy: -648.665585 where: bonds (distance) C4'-P energy: -129.022 bonds (distance) P-C4' energy: -146.439 flat angles C4'-P-C4' energy: -133.736 flat angles P-C4'-P energy: -95.761 tors. eta vs tors. theta energy: -143.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -1553.957346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.957346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.957346 (E_RNA) where: Base-Base interactions energy: -1023.976 where: short stacking energy: -471.519 Base-Backbone interact. energy: -2.525 local terms energy: -527.456034 where: bonds (distance) C4'-P energy: -112.706 bonds (distance) P-C4' energy: -141.354 flat angles C4'-P-C4' energy: -126.057 flat angles P-C4'-P energy: -71.106 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: 10, replica: 10 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -1133.802654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.802654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.802654 (E_RNA) where: Base-Base interactions energy: -631.262 where: short stacking energy: -285.753 Base-Backbone interact. energy: -0.127 local terms energy: -502.413463 where: bonds (distance) C4'-P energy: -118.893 bonds (distance) P-C4' energy: -146.124 flat angles C4'-P-C4' energy: -133.486 flat angles P-C4'-P energy: -80.573 tors. eta vs tors. theta energy: -23.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -3059.199106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.199106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.199106 (E_RNA) where: Base-Base interactions energy: -2148.608 where: short stacking energy: -855.306 Base-Backbone interact. energy: -5.656 local terms energy: -904.935401 where: bonds (distance) C4'-P energy: -172.437 bonds (distance) P-C4' energy: -175.086 flat angles C4'-P-C4' energy: -188.601 flat angles P-C4'-P energy: -122.559 tors. eta vs tors. theta energy: -246.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2856.188032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.188032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.188032 (E_RNA) where: Base-Base interactions energy: -1987.785 where: short stacking energy: -812.686 Base-Backbone interact. energy: -5.539 local terms energy: -862.864055 where: bonds (distance) C4'-P energy: -167.624 bonds (distance) P-C4' energy: -144.536 flat angles C4'-P-C4' energy: -188.787 flat angles P-C4'-P energy: -136.268 tors. eta vs tors. theta energy: -225.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2720.965444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.965444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.965444 (E_RNA) where: Base-Base interactions energy: -1872.803 where: short stacking energy: -791.579 Base-Backbone interact. energy: -4.479 local terms energy: -843.683093 where: bonds (distance) C4'-P energy: -150.092 bonds (distance) P-C4' energy: -164.466 flat angles C4'-P-C4' energy: -173.439 flat angles P-C4'-P energy: -123.472 tors. eta vs tors. theta energy: -232.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -2612.989886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.989886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.989886 (E_RNA) where: Base-Base interactions energy: -1810.981 where: short stacking energy: -739.302 Base-Backbone interact. energy: -2.593 local terms energy: -799.415673 where: bonds (distance) C4'-P energy: -153.079 bonds (distance) P-C4' energy: -157.938 flat angles C4'-P-C4' energy: -165.056 flat angles P-C4'-P energy: -118.190 tors. eta vs tors. theta energy: -205.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -2511.914023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.914023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.914023 (E_RNA) where: Base-Base interactions energy: -1729.030 where: short stacking energy: -696.935 Base-Backbone interact. energy: -5.553 local terms energy: -777.330893 where: bonds (distance) C4'-P energy: -160.893 bonds (distance) P-C4' energy: -166.067 flat angles C4'-P-C4' energy: -154.440 flat angles P-C4'-P energy: -100.111 tors. eta vs tors. theta energy: -195.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -2463.471946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.471946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.471946 (E_RNA) where: Base-Base interactions energy: -1705.325 where: short stacking energy: -733.108 Base-Backbone interact. energy: -3.561 local terms energy: -754.585296 where: bonds (distance) C4'-P energy: -142.100 bonds (distance) P-C4' energy: -128.755 flat angles C4'-P-C4' energy: -164.799 flat angles P-C4'-P energy: -116.600 tors. eta vs tors. theta energy: -202.331 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: 7, replica: 6 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -2157.904258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.904258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.904258 (E_RNA) where: Base-Base interactions energy: -1483.297 where: short stacking energy: -620.187 Base-Backbone interact. energy: 3.976 local terms energy: -678.583360 where: bonds (distance) C4'-P energy: -120.084 bonds (distance) P-C4' energy: -145.552 flat angles C4'-P-C4' energy: -162.476 flat angles P-C4'-P energy: -94.039 tors. eta vs tors. theta energy: -156.432 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: 2 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1931.353651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.353651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.353651 (E_RNA) where: Base-Base interactions energy: -1306.451 where: short stacking energy: -571.322 Base-Backbone interact. energy: 1.792 local terms energy: -626.693918 where: bonds (distance) C4'-P energy: -126.497 bonds (distance) P-C4' energy: -114.827 flat angles C4'-P-C4' energy: -151.207 flat angles P-C4'-P energy: -96.384 tors. eta vs tors. theta energy: -137.779 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: 9, replica: 9 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -1467.996439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.996439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.996439 (E_RNA) where: Base-Base interactions energy: -950.234 where: short stacking energy: -435.317 Base-Backbone interact. energy: 2.350 local terms energy: -520.113246 where: bonds (distance) C4'-P energy: -123.506 bonds (distance) P-C4' energy: -116.523 flat angles C4'-P-C4' energy: -131.169 flat angles P-C4'-P energy: -69.485 tors. eta vs tors. theta energy: -79.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -1142.656097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.656097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.656097 (E_RNA) where: Base-Base interactions energy: -648.830 where: short stacking energy: -318.431 Base-Backbone interact. energy: -2.392 local terms energy: -491.434642 where: bonds (distance) C4'-P energy: -143.083 bonds (distance) P-C4' energy: -155.051 flat angles C4'-P-C4' energy: -99.167 flat angles P-C4'-P energy: -64.947 tors. eta vs tors. theta energy: -29.187 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) out arg RESULTS//1/ptc-2-e2213f59_01 ================================== temp. level: 1, replica: 3 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -3086.033676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.033676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.033676 (E_RNA) where: Base-Base interactions energy: -2163.766 where: short stacking energy: -856.688 Base-Backbone interact. energy: -7.051 local terms energy: -915.217382 where: bonds (distance) C4'-P energy: -160.000 bonds (distance) P-C4' energy: -174.960 flat angles C4'-P-C4' energy: -183.598 flat angles P-C4'-P energy: -139.129 tors. eta vs tors. theta energy: -257.530 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: 2, replica: 1 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2848.316501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.316501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.316501 (E_RNA) where: Base-Base interactions energy: -1984.113 where: short stacking energy: -807.880 Base-Backbone interact. energy: -6.879 local terms energy: -857.325278 where: bonds (distance) C4'-P energy: -162.030 bonds (distance) P-C4' energy: -161.379 flat angles C4'-P-C4' energy: -169.631 flat angles P-C4'-P energy: -130.623 tors. eta vs tors. theta energy: -233.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -2711.251467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.251467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.251467 (E_RNA) where: Base-Base interactions energy: -1904.664 where: short stacking energy: -795.022 Base-Backbone interact. energy: -3.048 local terms energy: -803.539827 where: bonds (distance) C4'-P energy: -128.492 bonds (distance) P-C4' energy: -154.563 flat angles C4'-P-C4' energy: -163.895 flat angles P-C4'-P energy: -120.375 tors. eta vs tors. theta energy: -236.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -2626.818661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.818661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.818661 (E_RNA) where: Base-Base interactions energy: -1848.741 where: short stacking energy: -769.703 Base-Backbone interact. energy: -5.468 local terms energy: -772.609969 where: bonds (distance) C4'-P energy: -121.576 bonds (distance) P-C4' energy: -158.698 flat angles C4'-P-C4' energy: -179.847 flat angles P-C4'-P energy: -98.968 tors. eta vs tors. theta energy: -213.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -2544.301885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.301885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.301885 (E_RNA) where: Base-Base interactions energy: -1794.083 where: short stacking energy: -763.044 Base-Backbone interact. energy: -5.953 local terms energy: -744.266438 where: bonds (distance) C4'-P energy: -121.533 bonds (distance) P-C4' energy: -150.292 flat angles C4'-P-C4' energy: -165.891 flat angles P-C4'-P energy: -104.420 tors. eta vs tors. theta energy: -202.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -2462.486922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.486922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.486922 (E_RNA) where: Base-Base interactions energy: -1702.577 where: short stacking energy: -710.807 Base-Backbone interact. energy: 3.044 local terms energy: -762.953598 where: bonds (distance) C4'-P energy: -122.756 bonds (distance) P-C4' energy: -157.025 flat angles C4'-P-C4' energy: -165.294 flat angles P-C4'-P energy: -112.777 tors. eta vs tors. theta energy: -205.102 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: 7, replica: 6 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -2189.288044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.288044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.288044 (E_RNA) where: Base-Base interactions energy: -1492.249 where: short stacking energy: -639.340 Base-Backbone interact. energy: -4.503 local terms energy: -692.535337 where: bonds (distance) C4'-P energy: -132.115 bonds (distance) P-C4' energy: -129.872 flat angles C4'-P-C4' energy: -149.960 flat angles P-C4'-P energy: -114.933 tors. eta vs tors. theta energy: -165.655 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: 2 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1884.269669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.269669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.269669 (E_RNA) where: Base-Base interactions energy: -1298.921 where: short stacking energy: -559.385 Base-Backbone interact. energy: -0.659 local terms energy: -584.690237 where: bonds (distance) C4'-P energy: -127.553 bonds (distance) P-C4' energy: -124.897 flat angles C4'-P-C4' energy: -134.974 flat angles P-C4'-P energy: -75.439 tors. eta vs tors. theta energy: -121.826 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: 43 Temperature: 1.300000 Total energy: -1535.127790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.127790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.127790 (E_RNA) where: Base-Base interactions energy: -969.686 where: short stacking energy: -447.053 Base-Backbone interact. energy: 3.170 local terms energy: -568.611955 where: bonds (distance) C4'-P energy: -142.965 bonds (distance) P-C4' energy: -132.646 flat angles C4'-P-C4' energy: -124.288 flat angles P-C4'-P energy: -90.363 tors. eta vs tors. theta energy: -78.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -1006.480561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.480561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.480561 (E_RNA) where: Base-Base interactions energy: -567.316 where: short stacking energy: -294.758 Base-Backbone interact. energy: 0.122 local terms energy: -439.287257 where: bonds (distance) C4'-P energy: -121.408 bonds (distance) P-C4' energy: -145.145 flat angles C4'-P-C4' energy: -111.972 flat angles P-C4'-P energy: -56.813 tors. eta vs tors. theta energy: -3.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -3054.061858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.061858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.061858 (E_RNA) where: Base-Base interactions energy: -2140.394 where: short stacking energy: -871.341 Base-Backbone interact. energy: -4.312 local terms energy: -909.355873 where: bonds (distance) C4'-P energy: -157.297 bonds (distance) P-C4' energy: -181.961 flat angles C4'-P-C4' energy: -183.907 flat angles P-C4'-P energy: -124.339 tors. eta vs tors. theta energy: -261.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2906.661287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.661287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.661287 (E_RNA) where: Base-Base interactions energy: -2040.279 where: short stacking energy: -839.805 Base-Backbone interact. energy: -0.397 local terms energy: -865.984601 where: bonds (distance) C4'-P energy: -155.041 bonds (distance) P-C4' energy: -162.323 flat angles C4'-P-C4' energy: -181.673 flat angles P-C4'-P energy: -119.182 tors. eta vs tors. theta energy: -247.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2713.551274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.551274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.551274 (E_RNA) where: Base-Base interactions energy: -1854.277 where: short stacking energy: -787.011 Base-Backbone interact. energy: -7.652 local terms energy: -851.622952 where: bonds (distance) C4'-P energy: -158.645 bonds (distance) P-C4' energy: -172.836 flat angles C4'-P-C4' energy: -182.157 flat angles P-C4'-P energy: -119.168 tors. eta vs tors. theta energy: -218.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -2652.555646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.555646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.555646 (E_RNA) where: Base-Base interactions energy: -1861.447 where: short stacking energy: -768.738 Base-Backbone interact. energy: -2.428 local terms energy: -788.680679 where: bonds (distance) C4'-P energy: -132.939 bonds (distance) P-C4' energy: -153.073 flat angles C4'-P-C4' energy: -159.625 flat angles P-C4'-P energy: -113.193 tors. eta vs tors. theta energy: -229.850 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: 4 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -2538.395045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.395045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.395045 (E_RNA) where: Base-Base interactions energy: -1788.258 where: short stacking energy: -765.672 Base-Backbone interact. energy: -2.830 local terms energy: -747.307383 where: bonds (distance) C4'-P energy: -113.989 bonds (distance) P-C4' energy: -148.826 flat angles C4'-P-C4' energy: -173.438 flat angles P-C4'-P energy: -103.078 tors. eta vs tors. theta energy: -207.976 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: 8 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -2431.579706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.579706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.579706 (E_RNA) where: Base-Base interactions energy: -1681.448 where: short stacking energy: -728.916 Base-Backbone interact. energy: -2.891 local terms energy: -747.240519 where: bonds (distance) C4'-P energy: -142.576 bonds (distance) P-C4' energy: -157.539 flat angles C4'-P-C4' energy: -148.824 flat angles P-C4'-P energy: -98.669 tors. eta vs tors. theta energy: -199.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -2156.666562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.666562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.666562 (E_RNA) where: Base-Base interactions energy: -1472.563 where: short stacking energy: -595.920 Base-Backbone interact. energy: -0.154 local terms energy: -683.949679 where: bonds (distance) C4'-P energy: -148.327 bonds (distance) P-C4' energy: -146.434 flat angles C4'-P-C4' energy: -160.227 flat angles P-C4'-P energy: -83.739 tors. eta vs tors. theta energy: -145.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1933.733142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.733142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.733142 (E_RNA) where: Base-Base interactions energy: -1287.035 where: short stacking energy: -557.242 Base-Backbone interact. energy: -0.604 local terms energy: -646.094136 where: bonds (distance) C4'-P energy: -130.513 bonds (distance) P-C4' energy: -129.444 flat angles C4'-P-C4' energy: -137.591 flat angles P-C4'-P energy: -99.320 tors. eta vs tors. theta energy: -149.226 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: 44 Temperature: 1.300000 Total energy: -1508.351093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.351093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.351093 (E_RNA) where: Base-Base interactions energy: -973.651 where: short stacking energy: -414.632 Base-Backbone interact. energy: 4.621 local terms energy: -539.320742 where: bonds (distance) C4'-P energy: -117.567 bonds (distance) P-C4' energy: -137.293 flat angles C4'-P-C4' energy: -151.625 flat angles P-C4'-P energy: -60.283 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: 10, replica: 10 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -971.867598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.867598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.867598 (E_RNA) where: Base-Base interactions energy: -492.965 where: short stacking energy: -267.179 Base-Backbone interact. energy: 3.152 local terms energy: -482.054175 where: bonds (distance) C4'-P energy: -135.507 bonds (distance) P-C4' energy: -147.980 flat angles C4'-P-C4' energy: -116.645 flat angles P-C4'-P energy: -73.262 tors. eta vs tors. theta energy: -8.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -3045.732465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.732465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.732465 (E_RNA) where: Base-Base interactions energy: -2133.425 where: short stacking energy: -848.536 Base-Backbone interact. energy: -6.135 local terms energy: -906.172823 where: bonds (distance) C4'-P energy: -161.603 bonds (distance) P-C4' energy: -166.276 flat angles C4'-P-C4' energy: -194.113 flat angles P-C4'-P energy: -128.932 tors. eta vs tors. theta energy: -255.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2868.766003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.766003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.766003 (E_RNA) where: Base-Base interactions energy: -2016.119 where: short stacking energy: -821.728 Base-Backbone interact. energy: 0.354 local terms energy: -853.001067 where: bonds (distance) C4'-P energy: -150.427 bonds (distance) P-C4' energy: -170.712 flat angles C4'-P-C4' energy: -184.995 flat angles P-C4'-P energy: -107.310 tors. eta vs tors. theta energy: -239.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2724.558923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.558923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.558923 (E_RNA) where: Base-Base interactions energy: -1871.145 where: short stacking energy: -790.916 Base-Backbone interact. energy: -4.236 local terms energy: -849.177667 where: bonds (distance) C4'-P energy: -161.961 bonds (distance) P-C4' energy: -169.576 flat angles C4'-P-C4' energy: -177.424 flat angles P-C4'-P energy: -123.836 tors. eta vs tors. theta energy: -216.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -2618.921437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.921437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.921437 (E_RNA) where: Base-Base interactions energy: -1817.409 where: short stacking energy: -724.496 Base-Backbone interact. energy: -5.657 local terms energy: -795.856246 where: bonds (distance) C4'-P energy: -159.694 bonds (distance) P-C4' energy: -149.672 flat angles C4'-P-C4' energy: -168.357 flat angles P-C4'-P energy: -114.958 tors. eta vs tors. theta energy: -203.175 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: 5, replica: 4 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -2524.184849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.184849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.184849 (E_RNA) where: Base-Base interactions energy: -1745.195 where: short stacking energy: -733.042 Base-Backbone interact. energy: -2.806 local terms energy: -776.183792 where: bonds (distance) C4'-P energy: -135.808 bonds (distance) P-C4' energy: -161.596 flat angles C4'-P-C4' energy: -181.181 flat angles P-C4'-P energy: -107.410 tors. eta vs tors. theta energy: -190.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -2433.483516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.483516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.483516 (E_RNA) where: Base-Base interactions energy: -1677.052 where: short stacking energy: -677.413 Base-Backbone interact. energy: -3.921 local terms energy: -752.510432 where: bonds (distance) C4'-P energy: -130.739 bonds (distance) P-C4' energy: -155.694 flat angles C4'-P-C4' energy: -178.814 flat angles P-C4'-P energy: -100.101 tors. eta vs tors. theta energy: -187.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -2153.308962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.308962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.308962 (E_RNA) where: Base-Base interactions energy: -1466.009 where: short stacking energy: -607.394 Base-Backbone interact. energy: -2.475 local terms energy: -684.825577 where: bonds (distance) C4'-P energy: -127.494 bonds (distance) P-C4' energy: -140.562 flat angles C4'-P-C4' energy: -170.870 flat angles P-C4'-P energy: -94.529 tors. eta vs tors. theta energy: -151.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1922.173114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.173114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.173114 (E_RNA) where: Base-Base interactions energy: -1298.998 where: short stacking energy: -559.861 Base-Backbone interact. energy: 2.423 local terms energy: -625.598030 where: bonds (distance) C4'-P energy: -128.889 bonds (distance) P-C4' energy: -140.618 flat angles C4'-P-C4' energy: -145.438 flat angles P-C4'-P energy: -91.819 tors. eta vs tors. theta energy: -118.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -1464.421985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.421985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.421985 (E_RNA) where: Base-Base interactions energy: -934.253 where: short stacking energy: -440.414 Base-Backbone interact. energy: 6.044 local terms energy: -536.213116 where: bonds (distance) C4'-P energy: -133.095 bonds (distance) P-C4' energy: -124.775 flat angles C4'-P-C4' energy: -130.499 flat angles P-C4'-P energy: -73.200 tors. eta vs tors. theta energy: -74.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -965.895653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.895653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.895653 (E_RNA) where: Base-Base interactions energy: -475.018 where: short stacking energy: -251.429 Base-Backbone interact. energy: 5.505 local terms energy: -496.382454 where: bonds (distance) C4'-P energy: -127.211 bonds (distance) P-C4' energy: -164.185 flat angles C4'-P-C4' energy: -138.270 flat angles P-C4'-P energy: -65.494 tors. eta vs tors. theta energy: -1.222 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: 46 Temperature: 0.900000 Total energy: -3053.839228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.839228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.839228 (E_RNA) where: Base-Base interactions energy: -2161.317 where: short stacking energy: -865.564 Base-Backbone interact. energy: -5.734 local terms energy: -886.788079 where: bonds (distance) C4'-P energy: -153.770 bonds (distance) P-C4' energy: -168.839 flat angles C4'-P-C4' energy: -191.512 flat angles P-C4'-P energy: -127.326 tors. eta vs tors. theta energy: -245.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2883.980213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.980213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.980213 (E_RNA) where: Base-Base interactions energy: -2014.476 where: short stacking energy: -821.873 Base-Backbone interact. energy: -6.595 local terms energy: -862.909798 where: bonds (distance) C4'-P energy: -158.172 bonds (distance) P-C4' energy: -176.383 flat angles C4'-P-C4' energy: -173.020 flat angles P-C4'-P energy: -116.177 tors. eta vs tors. theta energy: -239.158 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: 5 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2714.609445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.609445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.609445 (E_RNA) where: Base-Base interactions energy: -1868.497 where: short stacking energy: -804.041 Base-Backbone interact. energy: -5.673 local terms energy: -840.439795 where: bonds (distance) C4'-P energy: -144.184 bonds (distance) P-C4' energy: -162.201 flat angles C4'-P-C4' energy: -186.265 flat angles P-C4'-P energy: -111.755 tors. eta vs tors. theta energy: -236.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -2616.958299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.958299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.958299 (E_RNA) where: Base-Base interactions energy: -1824.643 where: short stacking energy: -741.950 Base-Backbone interact. energy: -2.206 local terms energy: -790.109584 where: bonds (distance) C4'-P energy: -138.401 bonds (distance) P-C4' energy: -160.434 flat angles C4'-P-C4' energy: -177.814 flat angles P-C4'-P energy: -95.289 tors. eta vs tors. theta energy: -218.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -2499.433549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.433549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.433549 (E_RNA) where: Base-Base interactions energy: -1727.056 where: short stacking energy: -727.040 Base-Backbone interact. energy: 5.549 local terms energy: -777.926021 where: bonds (distance) C4'-P energy: -135.826 bonds (distance) P-C4' energy: -161.623 flat angles C4'-P-C4' energy: -171.653 flat angles P-C4'-P energy: -113.399 tors. eta vs tors. theta energy: -195.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -2497.350032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.350032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.350032 (E_RNA) where: Base-Base interactions energy: -1701.964 where: short stacking energy: -694.478 Base-Backbone interact. energy: -6.159 local terms energy: -789.227162 where: bonds (distance) C4'-P energy: -145.841 bonds (distance) P-C4' energy: -154.272 flat angles C4'-P-C4' energy: -182.783 flat angles P-C4'-P energy: -117.704 tors. eta vs tors. theta energy: -188.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -2221.768412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.768412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.768412 (E_RNA) where: Base-Base interactions energy: -1518.049 where: short stacking energy: -643.722 Base-Backbone interact. energy: 0.676 local terms energy: -704.395029 where: bonds (distance) C4'-P energy: -142.984 bonds (distance) P-C4' energy: -150.456 flat angles C4'-P-C4' energy: -147.258 flat angles P-C4'-P energy: -102.344 tors. eta vs tors. theta energy: -161.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1988.966140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.966140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.966140 (E_RNA) where: Base-Base interactions energy: -1330.988 where: short stacking energy: -553.591 Base-Backbone interact. energy: -1.995 local terms energy: -655.983171 where: bonds (distance) C4'-P energy: -122.966 bonds (distance) P-C4' energy: -147.457 flat angles C4'-P-C4' energy: -149.177 flat angles P-C4'-P energy: -80.209 tors. eta vs tors. theta energy: -156.175 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: 46 Temperature: 1.300000 Total energy: -1445.534378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.534378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.534378 (E_RNA) where: Base-Base interactions energy: -899.441 where: short stacking energy: -394.031 Base-Backbone interact. energy: -2.475 local terms energy: -543.618614 where: bonds (distance) C4'-P energy: -151.736 bonds (distance) P-C4' energy: -137.459 flat angles C4'-P-C4' energy: -101.740 flat angles P-C4'-P energy: -107.626 tors. eta vs tors. theta energy: -45.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -984.137385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.137385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.137385 (E_RNA) where: Base-Base interactions energy: -527.787 where: short stacking energy: -268.124 Base-Backbone interact. energy: -0.006 local terms energy: -456.345001 where: bonds (distance) C4'-P energy: -145.842 bonds (distance) P-C4' energy: -130.461 flat angles C4'-P-C4' energy: -128.328 flat angles P-C4'-P energy: -59.390 tors. eta vs tors. theta energy: 7.676 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: 47 Temperature: 0.900000 Total energy: -3065.750972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.750972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.750972 (E_RNA) where: Base-Base interactions energy: -2164.275 where: short stacking energy: -853.184 Base-Backbone interact. energy: -3.121 local terms energy: -898.355486 where: bonds (distance) C4'-P energy: -165.306 bonds (distance) P-C4' energy: -180.144 flat angles C4'-P-C4' energy: -172.783 flat angles P-C4'-P energy: -129.273 tors. eta vs tors. theta energy: -250.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2865.967365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.967365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.967365 (E_RNA) where: Base-Base interactions energy: -2025.653 where: short stacking energy: -816.761 Base-Backbone interact. energy: -4.890 local terms energy: -835.424334 where: bonds (distance) C4'-P energy: -154.480 bonds (distance) P-C4' energy: -157.679 flat angles C4'-P-C4' energy: -164.422 flat angles P-C4'-P energy: -127.692 tors. eta vs tors. theta energy: -231.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2733.178186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.178186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.178186 (E_RNA) where: Base-Base interactions energy: -1905.454 where: short stacking energy: -807.573 Base-Backbone interact. energy: -4.655 local terms energy: -823.069064 where: bonds (distance) C4'-P energy: -144.241 bonds (distance) P-C4' energy: -159.495 flat angles C4'-P-C4' energy: -163.400 flat angles P-C4'-P energy: -126.741 tors. eta vs tors. theta energy: -229.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -2616.115374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.115374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.115374 (E_RNA) where: Base-Base interactions energy: -1818.636 where: short stacking energy: -742.238 Base-Backbone interact. energy: -1.990 local terms energy: -795.488746 where: bonds (distance) C4'-P energy: -141.705 bonds (distance) P-C4' energy: -155.098 flat angles C4'-P-C4' energy: -168.774 flat angles P-C4'-P energy: -128.891 tors. eta vs tors. theta energy: -201.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -2494.511884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.511884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.511884 (E_RNA) where: Base-Base interactions energy: -1741.797 where: short stacking energy: -730.143 Base-Backbone interact. energy: -3.151 local terms energy: -749.564232 where: bonds (distance) C4'-P energy: -155.890 bonds (distance) P-C4' energy: -161.043 flat angles C4'-P-C4' energy: -143.953 flat angles P-C4'-P energy: -100.289 tors. eta vs tors. theta energy: -188.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -2479.942395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.942395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.942395 (E_RNA) where: Base-Base interactions energy: -1726.715 where: short stacking energy: -718.220 Base-Backbone interact. energy: -1.299 local terms energy: -751.928457 where: bonds (distance) C4'-P energy: -125.279 bonds (distance) P-C4' energy: -148.126 flat angles C4'-P-C4' energy: -167.349 flat angles P-C4'-P energy: -114.181 tors. eta vs tors. theta energy: -196.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -2206.857689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.857689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.857689 (E_RNA) where: Base-Base interactions energy: -1559.316 where: short stacking energy: -631.655 Base-Backbone interact. energy: -4.828 local terms energy: -642.713461 where: bonds (distance) C4'-P energy: -104.756 bonds (distance) P-C4' energy: -146.631 flat angles C4'-P-C4' energy: -149.622 flat angles P-C4'-P energy: -84.522 tors. eta vs tors. theta energy: -157.182 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: 8, replica: 2 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -2024.837777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.837777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.837777 (E_RNA) where: Base-Base interactions energy: -1390.985 where: short stacking energy: -581.867 Base-Backbone interact. energy: -2.937 local terms energy: -630.915877 where: bonds (distance) C4'-P energy: -133.512 bonds (distance) P-C4' energy: -128.209 flat angles C4'-P-C4' energy: -156.555 flat angles P-C4'-P energy: -58.715 tors. eta vs tors. theta energy: -153.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -1500.986893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.986893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.986893 (E_RNA) where: Base-Base interactions energy: -963.161 where: short stacking energy: -440.502 Base-Backbone interact. energy: -5.353 local terms energy: -532.472208 where: bonds (distance) C4'-P energy: -123.469 bonds (distance) P-C4' energy: -147.553 flat angles C4'-P-C4' energy: -128.027 flat angles P-C4'-P energy: -49.560 tors. eta vs tors. theta energy: -83.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -1009.203051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.203051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.203051 (E_RNA) where: Base-Base interactions energy: -545.693 where: short stacking energy: -264.472 Base-Backbone interact. energy: 1.297 local terms energy: -464.806699 where: bonds (distance) C4'-P energy: -134.580 bonds (distance) P-C4' energy: -151.413 flat angles C4'-P-C4' energy: -117.764 flat angles P-C4'-P energy: -65.921 tors. eta vs tors. theta energy: 4.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -3048.731089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.731089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.731089 (E_RNA) where: Base-Base interactions energy: -2159.488 where: short stacking energy: -854.536 Base-Backbone interact. energy: -8.156 local terms energy: -881.087435 where: bonds (distance) C4'-P energy: -165.340 bonds (distance) P-C4' energy: -172.209 flat angles C4'-P-C4' energy: -183.208 flat angles P-C4'-P energy: -112.390 tors. eta vs tors. theta energy: -247.940 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: 1 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2865.780600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.780600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.780600 (E_RNA) where: Base-Base interactions energy: -1998.986 where: short stacking energy: -804.313 Base-Backbone interact. energy: -4.881 local terms energy: -861.913812 where: bonds (distance) C4'-P energy: -159.819 bonds (distance) P-C4' energy: -165.073 flat angles C4'-P-C4' energy: -182.525 flat angles P-C4'-P energy: -119.964 tors. eta vs tors. theta energy: -234.532 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: 5 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2728.774219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.774219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.774219 (E_RNA) where: Base-Base interactions energy: -1914.405 where: short stacking energy: -794.835 Base-Backbone interact. energy: -1.677 local terms energy: -812.692122 where: bonds (distance) C4'-P energy: -139.853 bonds (distance) P-C4' energy: -160.658 flat angles C4'-P-C4' energy: -158.675 flat angles P-C4'-P energy: -123.634 tors. eta vs tors. theta energy: -229.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -2602.472878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.472878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.472878 (E_RNA) where: Base-Base interactions energy: -1832.089 where: short stacking energy: -747.670 Base-Backbone interact. energy: -1.428 local terms energy: -768.955755 where: bonds (distance) C4'-P energy: -134.084 bonds (distance) P-C4' energy: -138.951 flat angles C4'-P-C4' energy: -164.684 flat angles P-C4'-P energy: -116.874 tors. eta vs tors. theta energy: -214.362 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: 4 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -2482.580450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.580450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.580450 (E_RNA) where: Base-Base interactions energy: -1764.490 where: short stacking energy: -720.043 Base-Backbone interact. energy: -1.424 local terms energy: -716.666165 where: bonds (distance) C4'-P energy: -106.814 bonds (distance) P-C4' energy: -155.920 flat angles C4'-P-C4' energy: -158.191 flat angles P-C4'-P energy: -103.070 tors. eta vs tors. theta energy: -192.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -2456.215379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.215379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.215379 (E_RNA) where: Base-Base interactions energy: -1726.778 where: short stacking energy: -689.151 Base-Backbone interact. energy: -6.412 local terms energy: -723.025632 where: bonds (distance) C4'-P energy: -144.008 bonds (distance) P-C4' energy: -137.418 flat angles C4'-P-C4' energy: -167.524 flat angles P-C4'-P energy: -93.077 tors. eta vs tors. theta energy: -180.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -2170.488936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.488936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.488936 (E_RNA) where: Base-Base interactions energy: -1496.575 where: short stacking energy: -643.846 Base-Backbone interact. energy: -1.674 local terms energy: -672.240392 where: bonds (distance) C4'-P energy: -130.814 bonds (distance) P-C4' energy: -139.733 flat angles C4'-P-C4' energy: -141.327 flat angles P-C4'-P energy: -103.954 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: 8, replica: 2 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -2060.731169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.731169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.731169 (E_RNA) where: Base-Base interactions energy: -1434.701 where: short stacking energy: -588.471 Base-Backbone interact. energy: 0.284 local terms energy: -626.314176 where: bonds (distance) C4'-P energy: -137.615 bonds (distance) P-C4' energy: -133.780 flat angles C4'-P-C4' energy: -147.737 flat angles P-C4'-P energy: -73.180 tors. eta vs tors. theta energy: -134.003 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: 48 Temperature: 1.300000 Total energy: -1521.970974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.970974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.970974 (E_RNA) where: Base-Base interactions energy: -928.999 where: short stacking energy: -440.830 Base-Backbone interact. energy: 2.911 local terms energy: -595.883266 where: bonds (distance) C4'-P energy: -134.129 bonds (distance) P-C4' energy: -155.368 flat angles C4'-P-C4' energy: -138.303 flat angles P-C4'-P energy: -86.851 tors. eta vs tors. theta energy: -81.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -956.647054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.647054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.647054 (E_RNA) where: Base-Base interactions energy: -509.205 where: short stacking energy: -261.962 Base-Backbone interact. energy: 1.088 local terms energy: -448.530641 where: bonds (distance) C4'-P energy: -119.978 bonds (distance) P-C4' energy: -130.780 flat angles C4'-P-C4' energy: -135.945 flat angles P-C4'-P energy: -58.871 tors. eta vs tors. theta energy: -2.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -3065.694087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.694087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.694087 (E_RNA) where: Base-Base interactions energy: -2182.157 where: short stacking energy: -865.342 Base-Backbone interact. energy: -5.816 local terms energy: -877.720550 where: bonds (distance) C4'-P energy: -151.214 bonds (distance) P-C4' energy: -172.799 flat angles C4'-P-C4' energy: -184.402 flat angles P-C4'-P energy: -127.219 tors. eta vs tors. theta energy: -242.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2877.404160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.404160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.404160 (E_RNA) where: Base-Base interactions energy: -2026.044 where: short stacking energy: -835.373 Base-Backbone interact. energy: -8.213 local terms energy: -843.147693 where: bonds (distance) C4'-P energy: -157.543 bonds (distance) P-C4' energy: -134.454 flat angles C4'-P-C4' energy: -176.269 flat angles P-C4'-P energy: -124.859 tors. eta vs tors. theta energy: -250.024 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: 5 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2724.363940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.363940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.363940 (E_RNA) where: Base-Base interactions energy: -1870.169 where: short stacking energy: -796.991 Base-Backbone interact. energy: -0.118 local terms energy: -854.076493 where: bonds (distance) C4'-P energy: -175.797 bonds (distance) P-C4' energy: -190.555 flat angles C4'-P-C4' energy: -164.002 flat angles P-C4'-P energy: -109.843 tors. eta vs tors. theta energy: -213.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -2601.605218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.605218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.605218 (E_RNA) where: Base-Base interactions energy: -1802.193 where: short stacking energy: -724.733 Base-Backbone interact. energy: -3.379 local terms energy: -796.032784 where: bonds (distance) C4'-P energy: -144.539 bonds (distance) P-C4' energy: -174.627 flat angles C4'-P-C4' energy: -165.013 flat angles P-C4'-P energy: -113.137 tors. eta vs tors. theta energy: -198.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -2460.210615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.210615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.210615 (E_RNA) where: Base-Base interactions energy: -1678.026 where: short stacking energy: -686.789 Base-Backbone interact. energy: -1.013 local terms energy: -781.171256 where: bonds (distance) C4'-P energy: -141.330 bonds (distance) P-C4' energy: -168.378 flat angles C4'-P-C4' energy: -161.161 flat angles P-C4'-P energy: -121.789 tors. eta vs tors. theta energy: -188.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -2422.972600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.972600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.972600 (E_RNA) where: Base-Base interactions energy: -1686.523 where: short stacking energy: -695.364 Base-Backbone interact. energy: -1.009 local terms energy: -735.440977 where: bonds (distance) C4'-P energy: -133.188 bonds (distance) P-C4' energy: -168.640 flat angles C4'-P-C4' energy: -154.911 flat angles P-C4'-P energy: -93.615 tors. eta vs tors. theta energy: -185.087 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: 6 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -2104.473908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.473908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.473908 (E_RNA) where: Base-Base interactions energy: -1409.857 where: short stacking energy: -579.867 Base-Backbone interact. energy: -1.377 local terms energy: -693.239647 where: bonds (distance) C4'-P energy: -122.023 bonds (distance) P-C4' energy: -142.376 flat angles C4'-P-C4' energy: -163.823 flat angles P-C4'-P energy: -115.150 tors. eta vs tors. theta energy: -149.868 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: 8, replica: 2 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -2135.047191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.047191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.047191 (E_RNA) where: Base-Base interactions energy: -1439.515 where: short stacking energy: -598.516 Base-Backbone interact. energy: -0.101 local terms energy: -695.430598 where: bonds (distance) C4'-P energy: -141.860 bonds (distance) P-C4' energy: -130.495 flat angles C4'-P-C4' energy: -157.111 flat angles P-C4'-P energy: -95.264 tors. eta vs tors. theta energy: -170.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -1546.884301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.884301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.884301 (E_RNA) where: Base-Base interactions energy: -993.730 where: short stacking energy: -439.807 Base-Backbone interact. energy: 2.063 local terms energy: -555.217068 where: bonds (distance) C4'-P energy: -126.269 bonds (distance) P-C4' energy: -136.964 flat angles C4'-P-C4' energy: -147.483 flat angles P-C4'-P energy: -77.773 tors. eta vs tors. theta energy: -66.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -984.270738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.270738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.270738 (E_RNA) where: Base-Base interactions energy: -538.497 where: short stacking energy: -279.026 Base-Backbone interact. energy: -0.045 local terms energy: -445.728588 where: bonds (distance) C4'-P energy: -119.839 bonds (distance) P-C4' energy: -141.180 flat angles C4'-P-C4' energy: -113.021 flat angles P-C4'-P energy: -64.340 tors. eta vs tors. theta energy: -7.349 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: 3 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -3081.026973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.026973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.026973 (E_RNA) where: Base-Base interactions energy: -2197.198 where: short stacking energy: -854.331 Base-Backbone interact. energy: -4.836 local terms energy: -878.993594 where: bonds (distance) C4'-P energy: -147.219 bonds (distance) P-C4' energy: -171.244 flat angles C4'-P-C4' energy: -189.918 flat angles P-C4'-P energy: -119.283 tors. eta vs tors. theta energy: -251.330 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: 1 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2912.150597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.150597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.150597 (E_RNA) where: Base-Base interactions energy: -2038.763 where: short stacking energy: -850.145 Base-Backbone interact. energy: -6.019 local terms energy: -867.368780 where: bonds (distance) C4'-P energy: -144.465 bonds (distance) P-C4' energy: -171.297 flat angles C4'-P-C4' energy: -175.170 flat angles P-C4'-P energy: -130.408 tors. eta vs tors. theta energy: -246.030 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: 3, replica: 5 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2723.846907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.846907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.846907 (E_RNA) where: Base-Base interactions energy: -1865.605 where: short stacking energy: -772.033 Base-Backbone interact. energy: -3.651 local terms energy: -854.591154 where: bonds (distance) C4'-P energy: -164.615 bonds (distance) P-C4' energy: -169.506 flat angles C4'-P-C4' energy: -171.392 flat angles P-C4'-P energy: -125.975 tors. eta vs tors. theta energy: -223.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -2626.024967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.024967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.024967 (E_RNA) where: Base-Base interactions energy: -1833.322 where: short stacking energy: -732.563 Base-Backbone interact. energy: 0.319 local terms energy: -793.022624 where: bonds (distance) C4'-P energy: -142.824 bonds (distance) P-C4' energy: -174.457 flat angles C4'-P-C4' energy: -158.255 flat angles P-C4'-P energy: -103.838 tors. eta vs tors. theta energy: -213.648 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: 4 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -2492.542365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.542365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.542365 (E_RNA) where: Base-Base interactions energy: -1753.329 where: short stacking energy: -733.856 Base-Backbone interact. energy: -4.589 local terms energy: -734.624110 where: bonds (distance) C4'-P energy: -130.249 bonds (distance) P-C4' energy: -145.816 flat angles C4'-P-C4' energy: -175.501 flat angles P-C4'-P energy: -105.278 tors. eta vs tors. theta energy: -177.781 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: 8 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -2432.048954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.048954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.048954 (E_RNA) where: Base-Base interactions energy: -1687.347 where: short stacking energy: -685.112 Base-Backbone interact. energy: -4.251 local terms energy: -740.451585 where: bonds (distance) C4'-P energy: -144.891 bonds (distance) P-C4' energy: -149.615 flat angles C4'-P-C4' energy: -165.571 flat angles P-C4'-P energy: -93.690 tors. eta vs tors. theta energy: -186.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -2092.855166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.855166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.855166 (E_RNA) where: Base-Base interactions energy: -1415.551 where: short stacking energy: -566.773 Base-Backbone interact. energy: -3.494 local terms energy: -673.810241 where: bonds (distance) C4'-P energy: -144.055 bonds (distance) P-C4' energy: -131.318 flat angles C4'-P-C4' energy: -161.255 flat angles P-C4'-P energy: -99.439 tors. eta vs tors. theta energy: -137.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -2061.373470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.373470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.373470 (E_RNA) where: Base-Base interactions energy: -1384.989 where: short stacking energy: -599.086 Base-Backbone interact. energy: -3.663 local terms energy: -672.721396 where: bonds (distance) C4'-P energy: -155.633 bonds (distance) P-C4' energy: -147.203 flat angles C4'-P-C4' energy: -158.981 flat angles P-C4'-P energy: -76.037 tors. eta vs tors. theta energy: -134.867 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: 50 Temperature: 1.300000 Total energy: -1501.708801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.708801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.708801 (E_RNA) where: Base-Base interactions energy: -949.021 where: short stacking energy: -391.857 Base-Backbone interact. energy: 1.718 local terms energy: -554.405938 where: bonds (distance) C4'-P energy: -132.444 bonds (distance) P-C4' energy: -150.915 flat angles C4'-P-C4' energy: -111.912 flat angles P-C4'-P energy: -76.635 tors. eta vs tors. theta energy: -82.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -967.524654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.524654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.524654 (E_RNA) where: Base-Base interactions energy: -530.619 where: short stacking energy: -258.749 Base-Backbone interact. energy: -1.957 local terms energy: -434.948460 where: bonds (distance) C4'-P energy: -118.405 bonds (distance) P-C4' energy: -140.759 flat angles C4'-P-C4' energy: -106.606 flat angles P-C4'-P energy: -79.072 tors. eta vs tors. theta energy: 9.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -3055.130758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.130758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.130758 (E_RNA) where: Base-Base interactions energy: -2188.134 where: short stacking energy: -865.748 Base-Backbone interact. energy: -7.411 local terms energy: -859.585433 where: bonds (distance) C4'-P energy: -147.781 bonds (distance) P-C4' energy: -165.672 flat angles C4'-P-C4' energy: -185.047 flat angles P-C4'-P energy: -119.777 tors. eta vs tors. theta energy: -241.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2873.759328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.759328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.759328 (E_RNA) where: Base-Base interactions energy: -2011.264 where: short stacking energy: -849.005 Base-Backbone interact. energy: 2.722 local terms energy: -865.217633 where: bonds (distance) C4'-P energy: -156.211 bonds (distance) P-C4' energy: -160.775 flat angles C4'-P-C4' energy: -184.313 flat angles P-C4'-P energy: -115.373 tors. eta vs tors. theta energy: -248.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2718.401494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.401494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.401494 (E_RNA) where: Base-Base interactions energy: -1909.157 where: short stacking energy: -806.839 Base-Backbone interact. energy: -4.254 local terms energy: -804.990608 where: bonds (distance) C4'-P energy: -136.429 bonds (distance) P-C4' energy: -141.614 flat angles C4'-P-C4' energy: -171.368 flat angles P-C4'-P energy: -125.232 tors. eta vs tors. theta energy: -230.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -2658.810231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.810231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.810231 (E_RNA) where: Base-Base interactions energy: -1843.619 where: short stacking energy: -750.862 Base-Backbone interact. energy: -3.630 local terms energy: -811.560911 where: bonds (distance) C4'-P energy: -147.312 bonds (distance) P-C4' energy: -173.492 flat angles C4'-P-C4' energy: -152.486 flat angles P-C4'-P energy: -113.752 tors. eta vs tors. theta energy: -224.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -2491.595603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.595603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.595603 (E_RNA) where: Base-Base interactions energy: -1738.693 where: short stacking energy: -725.573 Base-Backbone interact. energy: -4.743 local terms energy: -748.160188 where: bonds (distance) C4'-P energy: -143.323 bonds (distance) P-C4' energy: -157.467 flat angles C4'-P-C4' energy: -164.418 flat angles P-C4'-P energy: -97.988 tors. eta vs tors. theta energy: -184.964 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: 8 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -2405.186735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.186735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.186735 (E_RNA) where: Base-Base interactions energy: -1686.385 where: short stacking energy: -689.128 Base-Backbone interact. energy: 0.580 local terms energy: -719.381527 where: bonds (distance) C4'-P energy: -135.238 bonds (distance) P-C4' energy: -144.108 flat angles C4'-P-C4' energy: -152.396 flat angles P-C4'-P energy: -101.529 tors. eta vs tors. theta energy: -186.109 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: 6 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -2097.880347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.880347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.880347 (E_RNA) where: Base-Base interactions energy: -1416.133 where: short stacking energy: -596.760 Base-Backbone interact. energy: 1.640 local terms energy: -683.387333 where: bonds (distance) C4'-P energy: -127.411 bonds (distance) P-C4' energy: -149.075 flat angles C4'-P-C4' energy: -158.646 flat angles P-C4'-P energy: -106.079 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: 8, replica: 2 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -2106.695546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.695546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.695546 (E_RNA) where: Base-Base interactions energy: -1434.733 where: short stacking energy: -587.911 Base-Backbone interact. energy: -2.929 local terms energy: -669.033735 where: bonds (distance) C4'-P energy: -121.253 bonds (distance) P-C4' energy: -149.048 flat angles C4'-P-C4' energy: -149.822 flat angles P-C4'-P energy: -108.928 tors. eta vs tors. theta energy: -139.984 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: 9, replica: 9 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -1516.874609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.874609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.874609 (E_RNA) where: Base-Base interactions energy: -966.802 where: short stacking energy: -437.487 Base-Backbone interact. energy: 5.087 local terms energy: -555.158940 where: bonds (distance) C4'-P energy: -140.386 bonds (distance) P-C4' energy: -144.556 flat angles C4'-P-C4' energy: -106.879 flat angles P-C4'-P energy: -78.660 tors. eta vs tors. theta energy: -84.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -938.041210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.041210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.041210 (E_RNA) where: Base-Base interactions energy: -495.747 where: short stacking energy: -251.538 Base-Backbone interact. energy: 3.988 local terms energy: -446.282551 where: bonds (distance) C4'-P energy: -136.466 bonds (distance) P-C4' energy: -126.165 flat angles C4'-P-C4' energy: -140.069 flat angles P-C4'-P energy: -51.881 tors. eta vs tors. theta energy: 8.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -3068.874854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.874854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.874854 (E_RNA) where: Base-Base interactions energy: -2146.979 where: short stacking energy: -853.358 Base-Backbone interact. energy: -3.856 local terms energy: -918.039689 where: bonds (distance) C4'-P energy: -158.367 bonds (distance) P-C4' energy: -183.817 flat angles C4'-P-C4' energy: -186.823 flat angles P-C4'-P energy: -135.113 tors. eta vs tors. theta energy: -253.919 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: 1 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2880.131748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.131748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.131748 (E_RNA) where: Base-Base interactions energy: -1992.967 where: short stacking energy: -823.294 Base-Backbone interact. energy: -1.560 local terms energy: -885.604721 where: bonds (distance) C4'-P energy: -145.102 bonds (distance) P-C4' energy: -169.601 flat angles C4'-P-C4' energy: -190.783 flat angles P-C4'-P energy: -131.056 tors. eta vs tors. theta energy: -249.062 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: 7 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2724.845625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.845625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.845625 (E_RNA) where: Base-Base interactions energy: -1892.105 where: short stacking energy: -797.002 Base-Backbone interact. energy: -4.196 local terms energy: -828.544923 where: bonds (distance) C4'-P energy: -149.145 bonds (distance) P-C4' energy: -165.919 flat angles C4'-P-C4' energy: -182.698 flat angles P-C4'-P energy: -117.263 tors. eta vs tors. theta energy: -213.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -2611.030804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.030804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.030804 (E_RNA) where: Base-Base interactions energy: -1812.984 where: short stacking energy: -772.258 Base-Backbone interact. energy: -2.876 local terms energy: -795.171112 where: bonds (distance) C4'-P energy: -146.172 bonds (distance) P-C4' energy: -150.198 flat angles C4'-P-C4' energy: -168.823 flat angles P-C4'-P energy: -112.469 tors. eta vs tors. theta energy: -217.509 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: 5, replica: 4 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -2518.324533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.324533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.324533 (E_RNA) where: Base-Base interactions energy: -1717.960 where: short stacking energy: -710.687 Base-Backbone interact. energy: -3.054 local terms energy: -797.310962 where: bonds (distance) C4'-P energy: -161.435 bonds (distance) P-C4' energy: -172.058 flat angles C4'-P-C4' energy: -170.803 flat angles P-C4'-P energy: -101.868 tors. eta vs tors. theta energy: -191.146 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: 8 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -2417.913195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.913195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.913195 (E_RNA) where: Base-Base interactions energy: -1695.332 where: short stacking energy: -690.637 Base-Backbone interact. energy: -3.776 local terms energy: -718.805597 where: bonds (distance) C4'-P energy: -145.678 bonds (distance) P-C4' energy: -150.186 flat angles C4'-P-C4' energy: -146.171 flat angles P-C4'-P energy: -94.703 tors. eta vs tors. theta energy: -182.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -2150.216212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.216212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.216212 (E_RNA) where: Base-Base interactions energy: -1450.123 where: short stacking energy: -622.831 Base-Backbone interact. energy: -2.167 local terms energy: -697.925618 where: bonds (distance) C4'-P energy: -133.326 bonds (distance) P-C4' energy: -162.542 flat angles C4'-P-C4' energy: -138.923 flat angles P-C4'-P energy: -106.326 tors. eta vs tors. theta energy: -156.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -2038.583802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.583802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.583802 (E_RNA) where: Base-Base interactions energy: -1395.163 where: short stacking energy: -583.019 Base-Backbone interact. energy: -3.628 local terms energy: -639.792816 where: bonds (distance) C4'-P energy: -127.302 bonds (distance) P-C4' energy: -152.951 flat angles C4'-P-C4' energy: -141.996 flat angles P-C4'-P energy: -87.361 tors. eta vs tors. theta energy: -130.183 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: 52 Temperature: 1.300000 Total energy: -1495.434755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.434755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.434755 (E_RNA) where: Base-Base interactions energy: -911.723 where: short stacking energy: -414.296 Base-Backbone interact. energy: -5.850 local terms energy: -577.861815 where: bonds (distance) C4'-P energy: -134.955 bonds (distance) P-C4' energy: -154.126 flat angles C4'-P-C4' energy: -133.810 flat angles P-C4'-P energy: -87.170 tors. eta vs tors. theta energy: -67.801 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: 10 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -998.196775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.196775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.196775 (E_RNA) where: Base-Base interactions energy: -557.221 where: short stacking energy: -283.038 Base-Backbone interact. energy: -1.510 local terms energy: -439.465862 where: bonds (distance) C4'-P energy: -122.008 bonds (distance) P-C4' energy: -134.108 flat angles C4'-P-C4' energy: -123.031 flat angles P-C4'-P energy: -50.149 tors. eta vs tors. theta energy: -10.170 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: 3 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -3064.336066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.336066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.336066 (E_RNA) where: Base-Base interactions energy: -2163.667 where: short stacking energy: -847.851 Base-Backbone interact. energy: 4.714 local terms energy: -905.382211 where: bonds (distance) C4'-P energy: -171.802 bonds (distance) P-C4' energy: -177.772 flat angles C4'-P-C4' energy: -182.442 flat angles P-C4'-P energy: -134.215 tors. eta vs tors. theta energy: -239.151 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: 1 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2889.562717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.562717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.562717 (E_RNA) where: Base-Base interactions energy: -1995.574 where: short stacking energy: -836.141 Base-Backbone interact. energy: -6.538 local terms energy: -887.451038 where: bonds (distance) C4'-P energy: -157.740 bonds (distance) P-C4' energy: -178.559 flat angles C4'-P-C4' energy: -177.841 flat angles P-C4'-P energy: -124.390 tors. eta vs tors. theta energy: -248.921 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: 7 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2723.094175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.094175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.094175 (E_RNA) where: Base-Base interactions energy: -1911.439 where: short stacking energy: -773.284 Base-Backbone interact. energy: -3.244 local terms energy: -808.410993 where: bonds (distance) C4'-P energy: -153.021 bonds (distance) P-C4' energy: -158.154 flat angles C4'-P-C4' energy: -174.325 flat angles P-C4'-P energy: -124.637 tors. eta vs tors. theta energy: -198.274 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: 4, replica: 5 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -2630.607470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.607470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.607470 (E_RNA) where: Base-Base interactions energy: -1819.914 where: short stacking energy: -731.195 Base-Backbone interact. energy: -1.123 local terms energy: -809.570125 where: bonds (distance) C4'-P energy: -157.467 bonds (distance) P-C4' energy: -158.203 flat angles C4'-P-C4' energy: -156.185 flat angles P-C4'-P energy: -123.088 tors. eta vs tors. theta energy: -214.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -2486.494962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.494962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.494962 (E_RNA) where: Base-Base interactions energy: -1725.800 where: short stacking energy: -675.968 Base-Backbone interact. energy: -3.037 local terms energy: -757.658872 where: bonds (distance) C4'-P energy: -145.316 bonds (distance) P-C4' energy: -147.572 flat angles C4'-P-C4' energy: -164.811 flat angles P-C4'-P energy: -112.218 tors. eta vs tors. theta energy: -187.742 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: 8 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -2372.459772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.459772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.459772 (E_RNA) where: Base-Base interactions energy: -1647.961 where: short stacking energy: -714.904 Base-Backbone interact. energy: -1.780 local terms energy: -722.718057 where: bonds (distance) C4'-P energy: -121.566 bonds (distance) P-C4' energy: -154.188 flat angles C4'-P-C4' energy: -158.870 flat angles P-C4'-P energy: -100.013 tors. eta vs tors. theta energy: -188.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -2201.062600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.062600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.062600 (E_RNA) where: Base-Base interactions energy: -1485.752 where: short stacking energy: -614.366 Base-Backbone interact. energy: 2.575 local terms energy: -717.885067 where: bonds (distance) C4'-P energy: -117.212 bonds (distance) P-C4' energy: -156.957 flat angles C4'-P-C4' energy: -174.381 flat angles P-C4'-P energy: -104.569 tors. eta vs tors. theta energy: -164.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -2007.846655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.846655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.846655 (E_RNA) where: Base-Base interactions energy: -1368.147 where: short stacking energy: -581.410 Base-Backbone interact. energy: 3.744 local terms energy: -643.443658 where: bonds (distance) C4'-P energy: -108.534 bonds (distance) P-C4' energy: -158.033 flat angles C4'-P-C4' energy: -153.423 flat angles P-C4'-P energy: -87.391 tors. eta vs tors. theta energy: -136.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -1519.479992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.479992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.479992 (E_RNA) where: Base-Base interactions energy: -984.027 where: short stacking energy: -447.974 Base-Backbone interact. energy: 0.318 local terms energy: -535.771128 where: bonds (distance) C4'-P energy: -133.266 bonds (distance) P-C4' energy: -118.654 flat angles C4'-P-C4' energy: -139.091 flat angles P-C4'-P energy: -66.420 tors. eta vs tors. theta energy: -78.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -1031.944123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.944123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.944123 (E_RNA) where: Base-Base interactions energy: -553.423 where: short stacking energy: -290.316 Base-Backbone interact. energy: 1.286 local terms energy: -479.807935 where: bonds (distance) C4'-P energy: -135.544 bonds (distance) P-C4' energy: -121.296 flat angles C4'-P-C4' energy: -132.653 flat angles P-C4'-P energy: -63.150 tors. eta vs tors. theta energy: -27.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -3046.863284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.863284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.863284 (E_RNA) where: Base-Base interactions energy: -2140.483 where: short stacking energy: -831.419 Base-Backbone interact. energy: -7.377 local terms energy: -899.003074 where: bonds (distance) C4'-P energy: -171.545 bonds (distance) P-C4' energy: -165.689 flat angles C4'-P-C4' energy: -189.343 flat angles P-C4'-P energy: -132.529 tors. eta vs tors. theta energy: -239.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2900.381913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.381913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.381913 (E_RNA) where: Base-Base interactions energy: -2022.377 where: short stacking energy: -834.672 Base-Backbone interact. energy: -2.913 local terms energy: -875.091891 where: bonds (distance) C4'-P energy: -160.783 bonds (distance) P-C4' energy: -174.417 flat angles C4'-P-C4' energy: -187.180 flat angles P-C4'-P energy: -121.529 tors. eta vs tors. theta energy: -231.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2743.619674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.619674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.619674 (E_RNA) where: Base-Base interactions energy: -1916.928 where: short stacking energy: -773.933 Base-Backbone interact. energy: -3.772 local terms energy: -822.920224 where: bonds (distance) C4'-P energy: -151.204 bonds (distance) P-C4' energy: -167.282 flat angles C4'-P-C4' energy: -165.970 flat angles P-C4'-P energy: -122.098 tors. eta vs tors. theta energy: -216.366 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: 5 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -2624.788482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.788482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.788482 (E_RNA) where: Base-Base interactions energy: -1804.609 where: short stacking energy: -745.534 Base-Backbone interact. energy: -4.190 local terms energy: -815.989449 where: bonds (distance) C4'-P energy: -138.946 bonds (distance) P-C4' energy: -186.245 flat angles C4'-P-C4' energy: -178.494 flat angles P-C4'-P energy: -115.387 tors. eta vs tors. theta energy: -196.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -2486.249855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.249855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.249855 (E_RNA) where: Base-Base interactions energy: -1744.940 where: short stacking energy: -717.916 Base-Backbone interact. energy: 1.859 local terms energy: -743.168098 where: bonds (distance) C4'-P energy: -136.032 bonds (distance) P-C4' energy: -171.138 flat angles C4'-P-C4' energy: -157.616 flat angles P-C4'-P energy: -90.814 tors. eta vs tors. theta energy: -187.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -2445.348965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.348965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.348965 (E_RNA) where: Base-Base interactions energy: -1685.944 where: short stacking energy: -687.095 Base-Backbone interact. energy: -0.323 local terms energy: -759.081524 where: bonds (distance) C4'-P energy: -128.991 bonds (distance) P-C4' energy: -157.148 flat angles C4'-P-C4' energy: -166.468 flat angles P-C4'-P energy: -115.200 tors. eta vs tors. theta energy: -191.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -2171.622166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.622166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.622166 (E_RNA) where: Base-Base interactions energy: -1501.700 where: short stacking energy: -654.319 Base-Backbone interact. energy: 4.106 local terms energy: -674.027677 where: bonds (distance) C4'-P energy: -131.223 bonds (distance) P-C4' energy: -127.370 flat angles C4'-P-C4' energy: -157.711 flat angles P-C4'-P energy: -89.023 tors. eta vs tors. theta energy: -168.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1995.021220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.021220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.021220 (E_RNA) where: Base-Base interactions energy: -1319.029 where: short stacking energy: -569.887 Base-Backbone interact. energy: 1.653 local terms energy: -677.644834 where: bonds (distance) C4'-P energy: -118.693 bonds (distance) P-C4' energy: -158.217 flat angles C4'-P-C4' energy: -153.210 flat angles P-C4'-P energy: -98.957 tors. eta vs tors. theta energy: -148.567 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: 54 Temperature: 1.300000 Total energy: -1465.107353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.107353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.107353 (E_RNA) where: Base-Base interactions energy: -949.736 where: short stacking energy: -414.209 Base-Backbone interact. energy: 2.978 local terms energy: -518.348501 where: bonds (distance) C4'-P energy: -121.708 bonds (distance) P-C4' energy: -122.752 flat angles C4'-P-C4' energy: -132.734 flat angles P-C4'-P energy: -78.204 tors. eta vs tors. theta energy: -62.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -1067.021228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.021228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.021228 (E_RNA) where: Base-Base interactions energy: -575.953 where: short stacking energy: -283.626 Base-Backbone interact. energy: -4.851 local terms energy: -486.216967 where: bonds (distance) C4'-P energy: -126.418 bonds (distance) P-C4' energy: -159.686 flat angles C4'-P-C4' energy: -101.434 flat angles P-C4'-P energy: -79.494 tors. eta vs tors. theta energy: -19.184 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: 1, replica: 3 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -3059.416149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.416149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.416149 (E_RNA) where: Base-Base interactions energy: -2171.806 where: short stacking energy: -876.491 Base-Backbone interact. energy: -8.702 local terms energy: -878.908245 where: bonds (distance) C4'-P energy: -156.274 bonds (distance) P-C4' energy: -150.839 flat angles C4'-P-C4' energy: -180.404 flat angles P-C4'-P energy: -138.814 tors. eta vs tors. theta energy: -252.577 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: 1 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2910.479181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.479181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.479181 (E_RNA) where: Base-Base interactions energy: -2038.532 where: short stacking energy: -827.368 Base-Backbone interact. energy: 0.347 local terms energy: -872.294277 where: bonds (distance) C4'-P energy: -170.377 bonds (distance) P-C4' energy: -169.614 flat angles C4'-P-C4' energy: -183.668 flat angles P-C4'-P energy: -120.743 tors. eta vs tors. theta energy: -227.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2772.991531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.991531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.991531 (E_RNA) where: Base-Base interactions energy: -1940.839 where: short stacking energy: -789.092 Base-Backbone interact. energy: -5.688 local terms energy: -826.465066 where: bonds (distance) C4'-P energy: -156.170 bonds (distance) P-C4' energy: -158.097 flat angles C4'-P-C4' energy: -166.095 flat angles P-C4'-P energy: -122.263 tors. eta vs tors. theta energy: -223.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -2681.727375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.727375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.727375 (E_RNA) where: Base-Base interactions energy: -1878.899 where: short stacking energy: -758.464 Base-Backbone interact. energy: -6.348 local terms energy: -796.480809 where: bonds (distance) C4'-P energy: -130.603 bonds (distance) P-C4' energy: -170.567 flat angles C4'-P-C4' energy: -170.406 flat angles P-C4'-P energy: -107.539 tors. eta vs tors. theta energy: -217.367 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: 4 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -2486.742041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.742041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.742041 (E_RNA) where: Base-Base interactions energy: -1743.123 where: short stacking energy: -711.187 Base-Backbone interact. energy: -3.957 local terms energy: -739.662008 where: bonds (distance) C4'-P energy: -139.213 bonds (distance) P-C4' energy: -157.939 flat angles C4'-P-C4' energy: -150.968 flat angles P-C4'-P energy: -102.397 tors. eta vs tors. theta energy: -189.144 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: 8 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -2387.809594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.809594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.809594 (E_RNA) where: Base-Base interactions energy: -1677.886 where: short stacking energy: -690.307 Base-Backbone interact. energy: -5.142 local terms energy: -704.781359 where: bonds (distance) C4'-P energy: -123.668 bonds (distance) P-C4' energy: -149.458 flat angles C4'-P-C4' energy: -152.295 flat angles P-C4'-P energy: -97.903 tors. eta vs tors. theta energy: -181.458 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: 7, replica: 6 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -2128.053828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.053828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.053828 (E_RNA) where: Base-Base interactions energy: -1447.560 where: short stacking energy: -623.953 Base-Backbone interact. energy: -2.404 local terms energy: -678.089963 where: bonds (distance) C4'-P energy: -130.050 bonds (distance) P-C4' energy: -142.554 flat angles C4'-P-C4' energy: -153.819 flat angles P-C4'-P energy: -88.822 tors. eta vs tors. theta energy: -162.844 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: 55 Temperature: 1.250000 Total energy: -1999.420624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.420624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.420624 (E_RNA) where: Base-Base interactions energy: -1365.740 where: short stacking energy: -617.268 Base-Backbone interact. energy: 0.248 local terms energy: -633.928845 where: bonds (distance) C4'-P energy: -126.692 bonds (distance) P-C4' energy: -142.930 flat angles C4'-P-C4' energy: -155.212 flat angles P-C4'-P energy: -64.336 tors. eta vs tors. theta energy: -144.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -1501.996549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.996549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.996549 (E_RNA) where: Base-Base interactions energy: -961.775 where: short stacking energy: -434.810 Base-Backbone interact. energy: 2.530 local terms energy: -542.752290 where: bonds (distance) C4'-P energy: -131.528 bonds (distance) P-C4' energy: -142.492 flat angles C4'-P-C4' energy: -121.121 flat angles P-C4'-P energy: -58.547 tors. eta vs tors. theta energy: -89.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -1027.936304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.936304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.936304 (E_RNA) where: Base-Base interactions energy: -556.592 where: short stacking energy: -294.828 Base-Backbone interact. energy: 2.366 local terms energy: -473.710281 where: bonds (distance) C4'-P energy: -138.195 bonds (distance) P-C4' energy: -145.155 flat angles C4'-P-C4' energy: -119.380 flat angles P-C4'-P energy: -52.388 tors. eta vs tors. theta energy: -18.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -3069.948675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.948675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.948675 (E_RNA) where: Base-Base interactions energy: -2178.687 where: short stacking energy: -865.522 Base-Backbone interact. energy: -3.131 local terms energy: -888.130789 where: bonds (distance) C4'-P energy: -160.484 bonds (distance) P-C4' energy: -170.238 flat angles C4'-P-C4' energy: -185.874 flat angles P-C4'-P energy: -119.967 tors. eta vs tors. theta energy: -251.569 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: 1 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2902.438090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.438090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.438090 (E_RNA) where: Base-Base interactions energy: -2053.765 where: short stacking energy: -828.012 Base-Backbone interact. energy: -1.344 local terms energy: -847.328756 where: bonds (distance) C4'-P energy: -151.513 bonds (distance) P-C4' energy: -171.573 flat angles C4'-P-C4' energy: -177.306 flat angles P-C4'-P energy: -117.906 tors. eta vs tors. theta energy: -229.031 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: 5 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2781.362963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.362963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.362963 (E_RNA) where: Base-Base interactions energy: -1946.981 where: short stacking energy: -803.580 Base-Backbone interact. energy: -3.447 local terms energy: -830.934868 where: bonds (distance) C4'-P energy: -161.654 bonds (distance) P-C4' energy: -164.272 flat angles C4'-P-C4' energy: -175.995 flat angles P-C4'-P energy: -102.696 tors. eta vs tors. theta energy: -226.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -2658.455746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.455746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.455746 (E_RNA) where: Base-Base interactions energy: -1889.807 where: short stacking energy: -756.359 Base-Backbone interact. energy: 0.016 local terms energy: -768.664117 where: bonds (distance) C4'-P energy: -141.914 bonds (distance) P-C4' energy: -140.809 flat angles C4'-P-C4' energy: -162.323 flat angles P-C4'-P energy: -115.122 tors. eta vs tors. theta energy: -208.496 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: 8 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -2413.668122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.668122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.668122 (E_RNA) where: Base-Base interactions energy: -1686.822 where: short stacking energy: -719.563 Base-Backbone interact. energy: 0.564 local terms energy: -727.409385 where: bonds (distance) C4'-P energy: -133.289 bonds (distance) P-C4' energy: -162.467 flat angles C4'-P-C4' energy: -141.296 flat angles P-C4'-P energy: -99.021 tors. eta vs tors. theta energy: -191.336 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: 6, replica: 4 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -2393.907271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.907271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.907271 (E_RNA) where: Base-Base interactions energy: -1661.598 where: short stacking energy: -679.286 Base-Backbone interact. energy: -0.888 local terms energy: -731.421180 where: bonds (distance) C4'-P energy: -138.940 bonds (distance) P-C4' energy: -152.963 flat angles C4'-P-C4' energy: -147.508 flat angles P-C4'-P energy: -111.129 tors. eta vs tors. theta energy: -180.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -2129.531094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.531094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.531094 (E_RNA) where: Base-Base interactions energy: -1445.869 where: short stacking energy: -609.042 Base-Backbone interact. energy: -0.394 local terms energy: -683.268623 where: bonds (distance) C4'-P energy: -153.437 bonds (distance) P-C4' energy: -146.999 flat angles C4'-P-C4' energy: -135.687 flat angles P-C4'-P energy: -101.658 tors. eta vs tors. theta energy: -145.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -2000.518902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.518902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.518902 (E_RNA) where: Base-Base interactions energy: -1362.218 where: short stacking energy: -583.967 Base-Backbone interact. energy: 0.439 local terms energy: -638.739697 where: bonds (distance) C4'-P energy: -123.602 bonds (distance) P-C4' energy: -133.271 flat angles C4'-P-C4' energy: -154.063 flat angles P-C4'-P energy: -99.788 tors. eta vs tors. theta energy: -128.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -1475.260657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.260657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.260657 (E_RNA) where: Base-Base interactions energy: -938.380 where: short stacking energy: -433.677 Base-Backbone interact. energy: 0.134 local terms energy: -537.014229 where: bonds (distance) C4'-P energy: -108.328 bonds (distance) P-C4' energy: -140.984 flat angles C4'-P-C4' energy: -116.987 flat angles P-C4'-P energy: -91.995 tors. eta vs tors. theta energy: -78.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -1013.838832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.838832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.838832 (E_RNA) where: Base-Base interactions energy: -564.236 where: short stacking energy: -307.648 Base-Backbone interact. energy: 0.905 local terms energy: -450.507924 where: bonds (distance) C4'-P energy: -133.187 bonds (distance) P-C4' energy: -130.615 flat angles C4'-P-C4' energy: -112.022 flat angles P-C4'-P energy: -60.858 tors. eta vs tors. theta energy: -13.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -3063.985017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.985017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.985017 (E_RNA) where: Base-Base interactions energy: -2171.031 where: short stacking energy: -875.861 Base-Backbone interact. energy: -6.214 local terms energy: -886.740073 where: bonds (distance) C4'-P energy: -154.384 bonds (distance) P-C4' energy: -167.552 flat angles C4'-P-C4' energy: -190.853 flat angles P-C4'-P energy: -112.209 tors. eta vs tors. theta energy: -261.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2892.159681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.159681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.159681 (E_RNA) where: Base-Base interactions energy: -2072.185 where: short stacking energy: -856.466 Base-Backbone interact. energy: -1.463 local terms energy: -818.511839 where: bonds (distance) C4'-P energy: -139.835 bonds (distance) P-C4' energy: -145.089 flat angles C4'-P-C4' energy: -175.152 flat angles P-C4'-P energy: -122.673 tors. eta vs tors. theta energy: -235.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2771.351888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.351888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.351888 (E_RNA) where: Base-Base interactions energy: -1962.449 where: short stacking energy: -817.245 Base-Backbone interact. energy: -3.225 local terms energy: -805.678371 where: bonds (distance) C4'-P energy: -148.932 bonds (distance) P-C4' energy: -139.039 flat angles C4'-P-C4' energy: -185.527 flat angles P-C4'-P energy: -116.932 tors. eta vs tors. theta energy: -215.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -2681.181420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.181420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.181420 (E_RNA) where: Base-Base interactions energy: -1888.694 where: short stacking energy: -778.333 Base-Backbone interact. energy: -5.713 local terms energy: -786.774962 where: bonds (distance) C4'-P energy: -147.029 bonds (distance) P-C4' energy: -144.239 flat angles C4'-P-C4' energy: -170.443 flat angles P-C4'-P energy: -109.932 tors. eta vs tors. theta energy: -215.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -2486.814806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.814806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.814806 (E_RNA) where: Base-Base interactions energy: -1716.920 where: short stacking energy: -716.961 Base-Backbone interact. energy: -3.470 local terms energy: -766.425205 where: bonds (distance) C4'-P energy: -141.099 bonds (distance) P-C4' energy: -140.343 flat angles C4'-P-C4' energy: -172.303 flat angles P-C4'-P energy: -114.648 tors. eta vs tors. theta energy: -198.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -2449.130240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.130240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.130240 (E_RNA) where: Base-Base interactions energy: -1729.724 where: short stacking energy: -711.961 Base-Backbone interact. energy: -0.308 local terms energy: -719.097921 where: bonds (distance) C4'-P energy: -121.153 bonds (distance) P-C4' energy: -128.456 flat angles C4'-P-C4' energy: -169.506 flat angles P-C4'-P energy: -111.377 tors. eta vs tors. theta energy: -188.605 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: 7, replica: 6 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -2105.312742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.312742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.312742 (E_RNA) where: Base-Base interactions energy: -1452.349 where: short stacking energy: -594.748 Base-Backbone interact. energy: -2.444 local terms energy: -650.519428 where: bonds (distance) C4'-P energy: -119.441 bonds (distance) P-C4' energy: -152.883 flat angles C4'-P-C4' energy: -130.761 flat angles P-C4'-P energy: -97.272 tors. eta vs tors. theta energy: -150.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1989.984140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.984140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.984140 (E_RNA) where: Base-Base interactions energy: -1347.975 where: short stacking energy: -567.717 Base-Backbone interact. energy: -3.323 local terms energy: -638.686571 where: bonds (distance) C4'-P energy: -114.753 bonds (distance) P-C4' energy: -139.756 flat angles C4'-P-C4' energy: -147.830 flat angles P-C4'-P energy: -102.968 tors. eta vs tors. theta energy: -133.379 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: 57 Temperature: 1.300000 Total energy: -1512.613488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.613488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.613488 (E_RNA) where: Base-Base interactions energy: -937.655 where: short stacking energy: -424.224 Base-Backbone interact. energy: -2.940 local terms energy: -572.018721 where: bonds (distance) C4'-P energy: -127.301 bonds (distance) P-C4' energy: -141.884 flat angles C4'-P-C4' energy: -130.352 flat angles P-C4'-P energy: -100.178 tors. eta vs tors. theta energy: -72.304 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: 10, replica: 10 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -1076.023081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.023081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.023081 (E_RNA) where: Base-Base interactions energy: -611.148 where: short stacking energy: -289.737 Base-Backbone interact. energy: -0.735 local terms energy: -464.140047 where: bonds (distance) C4'-P energy: -131.188 bonds (distance) P-C4' energy: -145.143 flat angles C4'-P-C4' energy: -97.079 flat angles P-C4'-P energy: -63.432 tors. eta vs tors. theta energy: -27.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -3086.219543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.219543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.219543 (E_RNA) where: Base-Base interactions energy: -2165.964 where: short stacking energy: -836.233 Base-Backbone interact. energy: -2.762 local terms energy: -917.492844 where: bonds (distance) C4'-P energy: -167.166 bonds (distance) P-C4' energy: -173.602 flat angles C4'-P-C4' energy: -196.289 flat angles P-C4'-P energy: -134.319 tors. eta vs tors. theta energy: -246.118 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: 1 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2944.787903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.787903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.787903 (E_RNA) where: Base-Base interactions energy: -2068.755 where: short stacking energy: -854.070 Base-Backbone interact. energy: -4.590 local terms energy: -871.443048 where: bonds (distance) C4'-P energy: -152.036 bonds (distance) P-C4' energy: -169.740 flat angles C4'-P-C4' energy: -178.968 flat angles P-C4'-P energy: -120.158 tors. eta vs tors. theta energy: -250.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2817.173525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.173525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.173525 (E_RNA) where: Base-Base interactions energy: -1970.789 where: short stacking energy: -816.340 Base-Backbone interact. energy: -4.884 local terms energy: -841.500752 where: bonds (distance) C4'-P energy: -145.559 bonds (distance) P-C4' energy: -168.793 flat angles C4'-P-C4' energy: -168.825 flat angles P-C4'-P energy: -116.705 tors. eta vs tors. theta energy: -241.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -2644.915306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.915306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.915306 (E_RNA) where: Base-Base interactions energy: -1852.619 where: short stacking energy: -745.542 Base-Backbone interact. energy: -1.561 local terms energy: -790.735134 where: bonds (distance) C4'-P energy: -152.283 bonds (distance) P-C4' energy: -159.827 flat angles C4'-P-C4' energy: -147.173 flat angles P-C4'-P energy: -113.504 tors. eta vs tors. theta energy: -217.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -2526.306350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.306350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.306350 (E_RNA) where: Base-Base interactions energy: -1789.781 where: short stacking energy: -713.711 Base-Backbone interact. energy: -1.097 local terms energy: -735.428174 where: bonds (distance) C4'-P energy: -125.479 bonds (distance) P-C4' energy: -153.511 flat angles C4'-P-C4' energy: -161.823 flat angles P-C4'-P energy: -101.784 tors. eta vs tors. theta energy: -192.831 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: 8 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -2401.787028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.787028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.787028 (E_RNA) where: Base-Base interactions energy: -1643.681 where: short stacking energy: -685.085 Base-Backbone interact. energy: -2.844 local terms energy: -755.262011 where: bonds (distance) C4'-P energy: -162.388 bonds (distance) P-C4' energy: -137.754 flat angles C4'-P-C4' energy: -164.189 flat angles P-C4'-P energy: -101.914 tors. eta vs tors. theta energy: -189.016 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: 6 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -2151.275278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.275278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.275278 (E_RNA) where: Base-Base interactions energy: -1458.511 where: short stacking energy: -620.277 Base-Backbone interact. energy: -2.199 local terms energy: -690.565311 where: bonds (distance) C4'-P energy: -146.009 bonds (distance) P-C4' energy: -138.807 flat angles C4'-P-C4' energy: -161.158 flat angles P-C4'-P energy: -94.135 tors. eta vs tors. theta energy: -150.456 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: 2 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -2029.573067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.573067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.573067 (E_RNA) where: Base-Base interactions energy: -1389.165 where: short stacking energy: -611.625 Base-Backbone interact. energy: -3.289 local terms energy: -637.119090 where: bonds (distance) C4'-P energy: -134.391 bonds (distance) P-C4' energy: -120.304 flat angles C4'-P-C4' energy: -143.999 flat angles P-C4'-P energy: -88.977 tors. eta vs tors. theta energy: -149.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -1424.580846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.580846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.580846 (E_RNA) where: Base-Base interactions energy: -892.234 where: short stacking energy: -383.016 Base-Backbone interact. energy: -1.597 local terms energy: -530.749617 where: bonds (distance) C4'-P energy: -138.687 bonds (distance) P-C4' energy: -137.767 flat angles C4'-P-C4' energy: -114.601 flat angles P-C4'-P energy: -81.425 tors. eta vs tors. theta energy: -58.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -1108.574789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.574789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.574789 (E_RNA) where: Base-Base interactions energy: -612.801 where: short stacking energy: -289.873 Base-Backbone interact. energy: 4.300 local terms energy: -500.073578 where: bonds (distance) C4'-P energy: -134.673 bonds (distance) P-C4' energy: -144.173 flat angles C4'-P-C4' energy: -121.833 flat angles P-C4'-P energy: -65.908 tors. eta vs tors. theta energy: -33.487 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: 59 Temperature: 0.900000 Total energy: -3089.394274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.394274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.394274 (E_RNA) where: Base-Base interactions energy: -2173.484 where: short stacking energy: -844.525 Base-Backbone interact. energy: -6.577 local terms energy: -909.333001 where: bonds (distance) C4'-P energy: -169.976 bonds (distance) P-C4' energy: -187.192 flat angles C4'-P-C4' energy: -183.298 flat angles P-C4'-P energy: -121.897 tors. eta vs tors. theta energy: -246.971 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: 1 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2915.032065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.032065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.032065 (E_RNA) where: Base-Base interactions energy: -2068.533 where: short stacking energy: -833.193 Base-Backbone interact. energy: 3.241 local terms energy: -849.740408 where: bonds (distance) C4'-P energy: -150.212 bonds (distance) P-C4' energy: -172.040 flat angles C4'-P-C4' energy: -172.074 flat angles P-C4'-P energy: -125.578 tors. eta vs tors. theta energy: -229.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2782.321804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.321804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.321804 (E_RNA) where: Base-Base interactions energy: -1945.007 where: short stacking energy: -798.350 Base-Backbone interact. energy: -4.047 local terms energy: -833.267966 where: bonds (distance) C4'-P energy: -154.233 bonds (distance) P-C4' energy: -164.390 flat angles C4'-P-C4' energy: -170.202 flat angles P-C4'-P energy: -119.807 tors. eta vs tors. theta energy: -224.637 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: 7 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -2665.906147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.906147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.906147 (E_RNA) where: Base-Base interactions energy: -1874.997 where: short stacking energy: -780.832 Base-Backbone interact. energy: -5.064 local terms energy: -785.845104 where: bonds (distance) C4'-P energy: -140.310 bonds (distance) P-C4' energy: -148.345 flat angles C4'-P-C4' energy: -165.610 flat angles P-C4'-P energy: -111.892 tors. eta vs tors. theta energy: -219.689 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: 59 Temperature: 1.100000 Total energy: -2505.480172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.480172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.480172 (E_RNA) where: Base-Base interactions energy: -1737.232 where: short stacking energy: -719.130 Base-Backbone interact. energy: -5.342 local terms energy: -762.905532 where: bonds (distance) C4'-P energy: -142.898 bonds (distance) P-C4' energy: -162.234 flat angles C4'-P-C4' energy: -168.523 flat angles P-C4'-P energy: -106.713 tors. eta vs tors. theta energy: -182.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -2424.797416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.797416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.797416 (E_RNA) where: Base-Base interactions energy: -1659.043 where: short stacking energy: -709.021 Base-Backbone interact. energy: -2.190 local terms energy: -763.563542 where: bonds (distance) C4'-P energy: -137.273 bonds (distance) P-C4' energy: -167.468 flat angles C4'-P-C4' energy: -165.400 flat angles P-C4'-P energy: -102.774 tors. eta vs tors. theta energy: -190.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -2160.328128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.328128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.328128 (E_RNA) where: Base-Base interactions energy: -1478.294 where: short stacking energy: -624.541 Base-Backbone interact. energy: -0.190 local terms energy: -681.844437 where: bonds (distance) C4'-P energy: -120.808 bonds (distance) P-C4' energy: -138.686 flat angles C4'-P-C4' energy: -166.730 flat angles P-C4'-P energy: -88.556 tors. eta vs tors. theta energy: -167.064 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: 59 Temperature: 1.250000 Total energy: -2015.621693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.621693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.621693 (E_RNA) where: Base-Base interactions energy: -1394.709 where: short stacking energy: -574.133 Base-Backbone interact. energy: -2.359 local terms energy: -618.553450 where: bonds (distance) C4'-P energy: -121.519 bonds (distance) P-C4' energy: -113.184 flat angles C4'-P-C4' energy: -143.487 flat angles P-C4'-P energy: -101.901 tors. eta vs tors. theta energy: -138.463 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: 59 Temperature: 1.300000 Total energy: -1486.989709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.989709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.989709 (E_RNA) where: Base-Base interactions energy: -950.866 where: short stacking energy: -409.195 Base-Backbone interact. energy: -2.138 local terms energy: -533.985724 where: bonds (distance) C4'-P energy: -131.018 bonds (distance) P-C4' energy: -141.173 flat angles C4'-P-C4' energy: -127.730 flat angles P-C4'-P energy: -74.604 tors. eta vs tors. theta energy: -59.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -1113.510711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.510711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.510711 (E_RNA) where: Base-Base interactions energy: -656.385 where: short stacking energy: -324.959 Base-Backbone interact. energy: 4.898 local terms energy: -462.023143 where: bonds (distance) C4'-P energy: -129.983 bonds (distance) P-C4' energy: -125.928 flat angles C4'-P-C4' energy: -115.755 flat angles P-C4'-P energy: -63.116 tors. eta vs tors. theta energy: -27.241 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: 3 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -3071.222197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.222197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.222197 (E_RNA) where: Base-Base interactions energy: -2174.126 where: short stacking energy: -852.219 Base-Backbone interact. energy: -7.386 local terms energy: -889.710233 where: bonds (distance) C4'-P energy: -158.141 bonds (distance) P-C4' energy: -175.076 flat angles C4'-P-C4' energy: -191.166 flat angles P-C4'-P energy: -125.113 tors. eta vs tors. theta energy: -240.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2931.137176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.137176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.137176 (E_RNA) where: Base-Base interactions energy: -2039.661 where: short stacking energy: -807.771 Base-Backbone interact. energy: -4.100 local terms energy: -887.376175 where: bonds (distance) C4'-P energy: -157.145 bonds (distance) P-C4' energy: -164.312 flat angles C4'-P-C4' energy: -192.747 flat angles P-C4'-P energy: -133.788 tors. eta vs tors. theta energy: -239.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2822.319350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.319350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.319350 (E_RNA) where: Base-Base interactions energy: -1965.952 where: short stacking energy: -818.382 Base-Backbone interact. energy: -4.003 local terms energy: -852.364415 where: bonds (distance) C4'-P energy: -149.741 bonds (distance) P-C4' energy: -161.967 flat angles C4'-P-C4' energy: -189.283 flat angles P-C4'-P energy: -125.759 tors. eta vs tors. theta energy: -225.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -2634.034537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.034537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.034537 (E_RNA) where: Base-Base interactions energy: -1855.588 where: short stacking energy: -779.927 Base-Backbone interact. energy: -6.713 local terms energy: -771.733507 where: bonds (distance) C4'-P energy: -139.960 bonds (distance) P-C4' energy: -142.735 flat angles C4'-P-C4' energy: -165.102 flat angles P-C4'-P energy: -109.764 tors. eta vs tors. theta energy: -214.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -2533.419317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.419317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.419317 (E_RNA) where: Base-Base interactions energy: -1781.488 where: short stacking energy: -739.672 Base-Backbone interact. energy: -0.819 local terms energy: -751.111486 where: bonds (distance) C4'-P energy: -133.636 bonds (distance) P-C4' energy: -135.687 flat angles C4'-P-C4' energy: -182.851 flat angles P-C4'-P energy: -107.374 tors. eta vs tors. theta energy: -191.563 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: 8 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -2446.107501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.107501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.107501 (E_RNA) where: Base-Base interactions energy: -1679.643 where: short stacking energy: -726.207 Base-Backbone interact. energy: -2.413 local terms energy: -764.051079 where: bonds (distance) C4'-P energy: -143.768 bonds (distance) P-C4' energy: -146.931 flat angles C4'-P-C4' energy: -156.128 flat angles P-C4'-P energy: -111.568 tors. eta vs tors. theta energy: -205.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -2138.458389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.458389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.458389 (E_RNA) where: Base-Base interactions energy: -1465.822 where: short stacking energy: -624.630 Base-Backbone interact. energy: 0.402 local terms energy: -673.038177 where: bonds (distance) C4'-P energy: -130.992 bonds (distance) P-C4' energy: -132.289 flat angles C4'-P-C4' energy: -153.383 flat angles P-C4'-P energy: -95.303 tors. eta vs tors. theta energy: -161.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1974.257358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.257358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.257358 (E_RNA) where: Base-Base interactions energy: -1316.819 where: short stacking energy: -593.351 Base-Backbone interact. energy: -0.713 local terms energy: -656.725469 where: bonds (distance) C4'-P energy: -123.842 bonds (distance) P-C4' energy: -150.740 flat angles C4'-P-C4' energy: -144.421 flat angles P-C4'-P energy: -103.947 tors. eta vs tors. theta energy: -133.775 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: 60 Temperature: 1.300000 Total energy: -1374.441473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.441473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.441473 (E_RNA) where: Base-Base interactions energy: -848.163 where: short stacking energy: -377.071 Base-Backbone interact. energy: -0.108 local terms energy: -526.170437 where: bonds (distance) C4'-P energy: -114.395 bonds (distance) P-C4' energy: -137.617 flat angles C4'-P-C4' energy: -134.458 flat angles P-C4'-P energy: -73.056 tors. eta vs tors. theta energy: -66.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -1106.924547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.924547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.924547 (E_RNA) where: Base-Base interactions energy: -592.931 where: short stacking energy: -307.450 Base-Backbone interact. energy: 7.473 local terms energy: -521.467178 where: bonds (distance) C4'-P energy: -139.131 bonds (distance) P-C4' energy: -146.612 flat angles C4'-P-C4' energy: -113.813 flat angles P-C4'-P energy: -81.209 tors. eta vs tors. theta energy: -40.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -3053.445094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.445094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.445094 (E_RNA) where: Base-Base interactions energy: -2151.661 where: short stacking energy: -865.862 Base-Backbone interact. energy: -4.265 local terms energy: -897.519495 where: bonds (distance) C4'-P energy: -171.136 bonds (distance) P-C4' energy: -158.114 flat angles C4'-P-C4' energy: -188.223 flat angles P-C4'-P energy: -132.826 tors. eta vs tors. theta energy: -247.220 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: 2, replica: 1 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2878.057393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.057393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.057393 (E_RNA) where: Base-Base interactions energy: -2000.276 where: short stacking energy: -813.126 Base-Backbone interact. energy: -4.723 local terms energy: -873.057693 where: bonds (distance) C4'-P energy: -151.540 bonds (distance) P-C4' energy: -193.637 flat angles C4'-P-C4' energy: -180.404 flat angles P-C4'-P energy: -117.982 tors. eta vs tors. theta energy: -229.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2751.420085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.420085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.420085 (E_RNA) where: Base-Base interactions energy: -1929.412 where: short stacking energy: -777.715 Base-Backbone interact. energy: -1.765 local terms energy: -820.242252 where: bonds (distance) C4'-P energy: -150.956 bonds (distance) P-C4' energy: -159.296 flat angles C4'-P-C4' energy: -173.179 flat angles P-C4'-P energy: -116.853 tors. eta vs tors. theta energy: -219.957 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: 7 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -2606.874941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.874941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.874941 (E_RNA) where: Base-Base interactions energy: -1840.123 where: short stacking energy: -752.008 Base-Backbone interact. energy: 0.841 local terms energy: -767.592579 where: bonds (distance) C4'-P energy: -143.168 bonds (distance) P-C4' energy: -148.577 flat angles C4'-P-C4' energy: -170.345 flat angles P-C4'-P energy: -103.150 tors. eta vs tors. theta energy: -202.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -2551.905281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.905281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.905281 (E_RNA) where: Base-Base interactions energy: -1819.592 where: short stacking energy: -752.650 Base-Backbone interact. energy: -1.262 local terms energy: -731.051192 where: bonds (distance) C4'-P energy: -117.615 bonds (distance) P-C4' energy: -146.888 flat angles C4'-P-C4' energy: -174.438 flat angles P-C4'-P energy: -95.229 tors. eta vs tors. theta energy: -196.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -2377.695724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.695724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.695724 (E_RNA) where: Base-Base interactions energy: -1641.176 where: short stacking energy: -695.150 Base-Backbone interact. energy: -2.734 local terms energy: -733.785790 where: bonds (distance) C4'-P energy: -131.116 bonds (distance) P-C4' energy: -155.762 flat angles C4'-P-C4' energy: -157.557 flat angles P-C4'-P energy: -103.892 tors. eta vs tors. theta energy: -185.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -2169.060335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.060335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.060335 (E_RNA) where: Base-Base interactions energy: -1470.957 where: short stacking energy: -597.502 Base-Backbone interact. energy: 8.672 local terms energy: -706.775490 where: bonds (distance) C4'-P energy: -138.223 bonds (distance) P-C4' energy: -151.680 flat angles C4'-P-C4' energy: -165.142 flat angles P-C4'-P energy: -87.055 tors. eta vs tors. theta energy: -164.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -2050.731051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.731051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.731051 (E_RNA) where: Base-Base interactions energy: -1422.724 where: short stacking energy: -589.766 Base-Backbone interact. energy: 6.870 local terms energy: -634.877578 where: bonds (distance) C4'-P energy: -141.320 bonds (distance) P-C4' energy: -131.560 flat angles C4'-P-C4' energy: -132.435 flat angles P-C4'-P energy: -81.653 tors. eta vs tors. theta energy: -147.910 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: 61 Temperature: 1.300000 Total energy: -1388.958202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.958202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.958202 (E_RNA) where: Base-Base interactions energy: -855.915 where: short stacking energy: -396.532 Base-Backbone interact. energy: 2.302 local terms energy: -535.344348 where: bonds (distance) C4'-P energy: -123.355 bonds (distance) P-C4' energy: -147.975 flat angles C4'-P-C4' energy: -125.997 flat angles P-C4'-P energy: -86.287 tors. eta vs tors. theta energy: -51.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -1115.502810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.502810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.502810 (E_RNA) where: Base-Base interactions energy: -642.181 where: short stacking energy: -333.481 Base-Backbone interact. energy: 11.325 local terms energy: -484.647443 where: bonds (distance) C4'-P energy: -124.564 bonds (distance) P-C4' energy: -120.023 flat angles C4'-P-C4' energy: -117.103 flat angles P-C4'-P energy: -94.668 tors. eta vs tors. theta energy: -28.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -3086.584723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.584723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.584723 (E_RNA) where: Base-Base interactions energy: -2175.529 where: short stacking energy: -875.504 Base-Backbone interact. energy: -7.257 local terms energy: -903.798874 where: bonds (distance) C4'-P energy: -165.611 bonds (distance) P-C4' energy: -177.556 flat angles C4'-P-C4' energy: -193.860 flat angles P-C4'-P energy: -114.290 tors. eta vs tors. theta energy: -252.483 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: 1 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2876.048251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.048251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.048251 (E_RNA) where: Base-Base interactions energy: -2003.559 where: short stacking energy: -825.019 Base-Backbone interact. energy: -5.486 local terms energy: -867.002949 where: bonds (distance) C4'-P energy: -153.009 bonds (distance) P-C4' energy: -184.929 flat angles C4'-P-C4' energy: -177.919 flat angles P-C4'-P energy: -125.582 tors. eta vs tors. theta energy: -225.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2730.918069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.918069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.918069 (E_RNA) where: Base-Base interactions energy: -1901.639 where: short stacking energy: -784.820 Base-Backbone interact. energy: 2.315 local terms energy: -831.593483 where: bonds (distance) C4'-P energy: -157.502 bonds (distance) P-C4' energy: -162.829 flat angles C4'-P-C4' energy: -170.056 flat angles P-C4'-P energy: -122.290 tors. eta vs tors. theta energy: -218.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -2631.851307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.851307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.851307 (E_RNA) where: Base-Base interactions energy: -1841.774 where: short stacking energy: -763.009 Base-Backbone interact. energy: -3.930 local terms energy: -786.147373 where: bonds (distance) C4'-P energy: -156.868 bonds (distance) P-C4' energy: -139.394 flat angles C4'-P-C4' energy: -170.883 flat angles P-C4'-P energy: -99.807 tors. eta vs tors. theta energy: -219.195 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: 4 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -2510.722979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.722979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.722979 (E_RNA) where: Base-Base interactions energy: -1758.393 where: short stacking energy: -702.870 Base-Backbone interact. energy: -3.492 local terms energy: -748.838355 where: bonds (distance) C4'-P energy: -143.302 bonds (distance) P-C4' energy: -138.212 flat angles C4'-P-C4' energy: -155.557 flat angles P-C4'-P energy: -122.056 tors. eta vs tors. theta energy: -189.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -2385.283102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.283102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.283102 (E_RNA) where: Base-Base interactions energy: -1650.279 where: short stacking energy: -690.838 Base-Backbone interact. energy: -3.614 local terms energy: -731.389668 where: bonds (distance) C4'-P energy: -138.672 bonds (distance) P-C4' energy: -153.296 flat angles C4'-P-C4' energy: -151.290 flat angles P-C4'-P energy: -94.538 tors. eta vs tors. theta energy: -193.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -2171.941917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.941917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.941917 (E_RNA) where: Base-Base interactions energy: -1431.818 where: short stacking energy: -623.930 Base-Backbone interact. energy: 0.906 local terms energy: -741.029642 where: bonds (distance) C4'-P energy: -142.953 bonds (distance) P-C4' energy: -155.060 flat angles C4'-P-C4' energy: -158.018 flat angles P-C4'-P energy: -107.438 tors. eta vs tors. theta energy: -177.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -2104.759881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.759881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.759881 (E_RNA) where: Base-Base interactions energy: -1431.999 where: short stacking energy: -580.082 Base-Backbone interact. energy: -4.149 local terms energy: -668.611904 where: bonds (distance) C4'-P energy: -118.634 bonds (distance) P-C4' energy: -157.383 flat angles C4'-P-C4' energy: -144.244 flat angles P-C4'-P energy: -91.412 tors. eta vs tors. theta energy: -156.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -1498.722771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.722771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.722771 (E_RNA) where: Base-Base interactions energy: -926.883 where: short stacking energy: -431.844 Base-Backbone interact. energy: -1.531 local terms energy: -570.309089 where: bonds (distance) C4'-P energy: -123.513 bonds (distance) P-C4' energy: -145.772 flat angles C4'-P-C4' energy: -135.592 flat angles P-C4'-P energy: -74.288 tors. eta vs tors. theta energy: -91.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -1146.957029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.957029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.957029 (E_RNA) where: Base-Base interactions energy: -660.532 where: short stacking energy: -326.057 Base-Backbone interact. energy: 5.239 local terms energy: -491.663152 where: bonds (distance) C4'-P energy: -145.691 bonds (distance) P-C4' energy: -139.073 flat angles C4'-P-C4' energy: -99.148 flat angles P-C4'-P energy: -75.868 tors. eta vs tors. theta energy: -31.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -3068.022531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.022531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.022531 (E_RNA) where: Base-Base interactions energy: -2154.756 where: short stacking energy: -839.676 Base-Backbone interact. energy: -6.650 local terms energy: -906.616179 where: bonds (distance) C4'-P energy: -167.854 bonds (distance) P-C4' energy: -174.744 flat angles C4'-P-C4' energy: -190.524 flat angles P-C4'-P energy: -133.662 tors. eta vs tors. theta energy: -239.831 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: 2, replica: 1 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2854.802951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.802951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.802951 (E_RNA) where: Base-Base interactions energy: -2003.898 where: short stacking energy: -812.465 Base-Backbone interact. energy: -0.519 local terms energy: -850.386041 where: bonds (distance) C4'-P energy: -145.030 bonds (distance) P-C4' energy: -165.375 flat angles C4'-P-C4' energy: -183.866 flat angles P-C4'-P energy: -123.640 tors. eta vs tors. theta energy: -232.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2804.116219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.116219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.116219 (E_RNA) where: Base-Base interactions energy: -1964.218 where: short stacking energy: -818.405 Base-Backbone interact. energy: -2.116 local terms energy: -837.781826 where: bonds (distance) C4'-P energy: -159.942 bonds (distance) P-C4' energy: -162.375 flat angles C4'-P-C4' energy: -168.450 flat angles P-C4'-P energy: -111.003 tors. eta vs tors. theta energy: -236.012 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: 7 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -2589.102547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.102547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.102547 (E_RNA) where: Base-Base interactions energy: -1820.413 where: short stacking energy: -737.060 Base-Backbone interact. energy: -0.307 local terms energy: -768.383209 where: bonds (distance) C4'-P energy: -144.667 bonds (distance) P-C4' energy: -123.664 flat angles C4'-P-C4' energy: -179.417 flat angles P-C4'-P energy: -109.923 tors. eta vs tors. theta energy: -210.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -2543.395472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.395472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.395472 (E_RNA) where: Base-Base interactions energy: -1780.939 where: short stacking energy: -748.346 Base-Backbone interact. energy: -3.639 local terms energy: -758.817678 where: bonds (distance) C4'-P energy: -141.204 bonds (distance) P-C4' energy: -132.365 flat angles C4'-P-C4' energy: -160.787 flat angles P-C4'-P energy: -115.030 tors. eta vs tors. theta energy: -209.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -2419.386694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.386694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.386694 (E_RNA) where: Base-Base interactions energy: -1668.545 where: short stacking energy: -706.467 Base-Backbone interact. energy: -1.252 local terms energy: -749.590020 where: bonds (distance) C4'-P energy: -137.737 bonds (distance) P-C4' energy: -147.985 flat angles C4'-P-C4' energy: -166.851 flat angles P-C4'-P energy: -104.807 tors. eta vs tors. theta energy: -192.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -2139.798285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.798285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.798285 (E_RNA) where: Base-Base interactions energy: -1433.909 where: short stacking energy: -589.080 Base-Backbone interact. energy: -2.258 local terms energy: -703.631420 where: bonds (distance) C4'-P energy: -136.801 bonds (distance) P-C4' energy: -153.465 flat angles C4'-P-C4' energy: -164.888 flat angles P-C4'-P energy: -98.481 tors. eta vs tors. theta energy: -149.996 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: 6 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -2055.364546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.364546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.364546 (E_RNA) where: Base-Base interactions energy: -1417.823 where: short stacking energy: -599.841 Base-Backbone interact. energy: -4.256 local terms energy: -633.285789 where: bonds (distance) C4'-P energy: -134.793 bonds (distance) P-C4' energy: -125.529 flat angles C4'-P-C4' energy: -160.715 flat angles P-C4'-P energy: -79.793 tors. eta vs tors. theta energy: -132.456 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: 63 Temperature: 1.300000 Total energy: -1367.319386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.319386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.319386 (E_RNA) where: Base-Base interactions energy: -835.726 where: short stacking energy: -407.942 Base-Backbone interact. energy: 3.613 local terms energy: -535.205999 where: bonds (distance) C4'-P energy: -125.319 bonds (distance) P-C4' energy: -152.350 flat angles C4'-P-C4' energy: -136.169 flat angles P-C4'-P energy: -70.497 tors. eta vs tors. theta energy: -50.871 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: 10, replica: 10 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -1137.856336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.856336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.856336 (E_RNA) where: Base-Base interactions energy: -633.960 where: short stacking energy: -313.186 Base-Backbone interact. energy: 3.831 local terms energy: -507.726975 where: bonds (distance) C4'-P energy: -149.055 bonds (distance) P-C4' energy: -139.866 flat angles C4'-P-C4' energy: -119.696 flat angles P-C4'-P energy: -55.580 tors. eta vs tors. theta energy: -43.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -3072.669886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.669886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.669886 (E_RNA) where: Base-Base interactions energy: -2161.008 where: short stacking energy: -849.108 Base-Backbone interact. energy: -7.087 local terms energy: -904.574718 where: bonds (distance) C4'-P energy: -166.055 bonds (distance) P-C4' energy: -180.147 flat angles C4'-P-C4' energy: -189.009 flat angles P-C4'-P energy: -120.692 tors. eta vs tors. theta energy: -248.672 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: 1 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2901.572497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.572497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.572497 (E_RNA) where: Base-Base interactions energy: -2027.462 where: short stacking energy: -833.531 Base-Backbone interact. energy: -6.186 local terms energy: -867.924229 where: bonds (distance) C4'-P energy: -155.811 bonds (distance) P-C4' energy: -160.373 flat angles C4'-P-C4' energy: -188.179 flat angles P-C4'-P energy: -118.172 tors. eta vs tors. theta energy: -245.389 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: 5 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2774.621745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.621745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.621745 (E_RNA) where: Base-Base interactions energy: -1952.136 where: short stacking energy: -790.555 Base-Backbone interact. energy: -3.294 local terms energy: -819.191421 where: bonds (distance) C4'-P energy: -152.198 bonds (distance) P-C4' energy: -147.163 flat angles C4'-P-C4' energy: -163.713 flat angles P-C4'-P energy: -123.494 tors. eta vs tors. theta energy: -232.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -2607.384853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.384853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.384853 (E_RNA) where: Base-Base interactions energy: -1820.367 where: short stacking energy: -772.558 Base-Backbone interact. energy: -2.811 local terms energy: -784.207623 where: bonds (distance) C4'-P energy: -154.680 bonds (distance) P-C4' energy: -171.074 flat angles C4'-P-C4' energy: -153.945 flat angles P-C4'-P energy: -96.576 tors. eta vs tors. theta energy: -207.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -2537.995671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.995671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.995671 (E_RNA) where: Base-Base interactions energy: -1751.030 where: short stacking energy: -747.289 Base-Backbone interact. energy: 0.099 local terms energy: -787.064436 where: bonds (distance) C4'-P energy: -132.856 bonds (distance) P-C4' energy: -150.936 flat angles C4'-P-C4' energy: -177.670 flat angles P-C4'-P energy: -123.252 tors. eta vs tors. theta energy: -202.350 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: 8 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -2356.465152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.465152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.465152 (E_RNA) where: Base-Base interactions energy: -1638.539 where: short stacking energy: -677.380 Base-Backbone interact. energy: -0.819 local terms energy: -717.107156 where: bonds (distance) C4'-P energy: -130.195 bonds (distance) P-C4' energy: -148.856 flat angles C4'-P-C4' energy: -140.169 flat angles P-C4'-P energy: -116.088 tors. eta vs tors. theta energy: -181.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -2091.668057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.668057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.668057 (E_RNA) where: Base-Base interactions energy: -1406.346 where: short stacking energy: -584.560 Base-Backbone interact. energy: -3.576 local terms energy: -681.745642 where: bonds (distance) C4'-P energy: -133.597 bonds (distance) P-C4' energy: -160.102 flat angles C4'-P-C4' energy: -155.155 flat angles P-C4'-P energy: -107.064 tors. eta vs tors. theta energy: -125.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -2070.287985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.287985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.287985 (E_RNA) where: Base-Base interactions energy: -1398.274 where: short stacking energy: -568.359 Base-Backbone interact. energy: -1.124 local terms energy: -670.890585 where: bonds (distance) C4'-P energy: -124.104 bonds (distance) P-C4' energy: -157.776 flat angles C4'-P-C4' energy: -147.341 flat angles P-C4'-P energy: -103.050 tors. eta vs tors. theta energy: -138.620 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: 64 Temperature: 1.300000 Total energy: -1358.594130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.594130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.594130 (E_RNA) where: Base-Base interactions energy: -801.673 where: short stacking energy: -347.680 Base-Backbone interact. energy: 2.739 local terms energy: -559.660340 where: bonds (distance) C4'-P energy: -143.061 bonds (distance) P-C4' energy: -155.346 flat angles C4'-P-C4' energy: -135.578 flat angles P-C4'-P energy: -74.176 tors. eta vs tors. theta energy: -51.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -1122.105279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.105279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.105279 (E_RNA) where: Base-Base interactions energy: -653.770 where: short stacking energy: -350.520 Base-Backbone interact. energy: -0.744 local terms energy: -467.591085 where: bonds (distance) C4'-P energy: -127.702 bonds (distance) P-C4' energy: -124.958 flat angles C4'-P-C4' energy: -110.006 flat angles P-C4'-P energy: -75.629 tors. eta vs tors. theta energy: -29.296 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: 65 Temperature: 0.900000 Total energy: -3038.635751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.635751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.635751 (E_RNA) where: Base-Base interactions energy: -2169.319 where: short stacking energy: -861.234 Base-Backbone interact. energy: -4.364 local terms energy: -864.952725 where: bonds (distance) C4'-P energy: -153.013 bonds (distance) P-C4' energy: -159.436 flat angles C4'-P-C4' energy: -181.457 flat angles P-C4'-P energy: -119.631 tors. eta vs tors. theta energy: -251.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2850.191847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.191847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.191847 (E_RNA) where: Base-Base interactions energy: -1984.167 where: short stacking energy: -816.870 Base-Backbone interact. energy: -6.454 local terms energy: -859.570668 where: bonds (distance) C4'-P energy: -165.764 bonds (distance) P-C4' energy: -159.610 flat angles C4'-P-C4' energy: -173.355 flat angles P-C4'-P energy: -137.114 tors. eta vs tors. theta energy: -223.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2774.844001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.844001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.844001 (E_RNA) where: Base-Base interactions energy: -1941.096 where: short stacking energy: -796.079 Base-Backbone interact. energy: -0.423 local terms energy: -833.325008 where: bonds (distance) C4'-P energy: -145.001 bonds (distance) P-C4' energy: -156.786 flat angles C4'-P-C4' energy: -175.560 flat angles P-C4'-P energy: -135.388 tors. eta vs tors. theta energy: -220.589 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: 7 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2568.605921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.605921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.605921 (E_RNA) where: Base-Base interactions energy: -1816.350 where: short stacking energy: -748.639 Base-Backbone interact. energy: 0.036 local terms energy: -752.291835 where: bonds (distance) C4'-P energy: -125.127 bonds (distance) P-C4' energy: -162.299 flat angles C4'-P-C4' energy: -150.040 flat angles P-C4'-P energy: -104.407 tors. eta vs tors. theta energy: -210.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -2549.661835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.661835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.661835 (E_RNA) where: Base-Base interactions energy: -1766.134 where: short stacking energy: -711.511 Base-Backbone interact. energy: -3.624 local terms energy: -779.903435 where: bonds (distance) C4'-P energy: -149.050 bonds (distance) P-C4' energy: -154.004 flat angles C4'-P-C4' energy: -173.042 flat angles P-C4'-P energy: -112.306 tors. eta vs tors. theta energy: -191.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -2362.371111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.371111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.371111 (E_RNA) where: Base-Base interactions energy: -1625.098 where: short stacking energy: -678.528 Base-Backbone interact. energy: -1.809 local terms energy: -735.463981 where: bonds (distance) C4'-P energy: -145.867 bonds (distance) P-C4' energy: -136.963 flat angles C4'-P-C4' energy: -166.873 flat angles P-C4'-P energy: -102.490 tors. eta vs tors. theta energy: -183.271 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: 2 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -2025.596995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.596995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.596995 (E_RNA) where: Base-Base interactions energy: -1341.933 where: short stacking energy: -556.852 Base-Backbone interact. energy: -2.600 local terms energy: -681.063682 where: bonds (distance) C4'-P energy: -145.330 bonds (distance) P-C4' energy: -123.515 flat angles C4'-P-C4' energy: -169.911 flat angles P-C4'-P energy: -115.264 tors. eta vs tors. theta energy: -127.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1945.891948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.891948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.891948 (E_RNA) where: Base-Base interactions energy: -1302.169 where: short stacking energy: -558.939 Base-Backbone interact. energy: -2.520 local terms energy: -641.203137 where: bonds (distance) C4'-P energy: -144.030 bonds (distance) P-C4' energy: -106.772 flat angles C4'-P-C4' energy: -138.733 flat angles P-C4'-P energy: -106.975 tors. eta vs tors. theta energy: -144.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -1379.195973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.195973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.195973 (E_RNA) where: Base-Base interactions energy: -852.327 where: short stacking energy: -376.057 Base-Backbone interact. energy: -0.337 local terms energy: -526.532379 where: bonds (distance) C4'-P energy: -137.569 bonds (distance) P-C4' energy: -151.910 flat angles C4'-P-C4' energy: -120.166 flat angles P-C4'-P energy: -73.996 tors. eta vs tors. theta energy: -42.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -1126.158858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.158858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.158858 (E_RNA) where: Base-Base interactions energy: -630.123 where: short stacking energy: -306.992 Base-Backbone interact. energy: -1.183 local terms energy: -494.852369 where: bonds (distance) C4'-P energy: -138.563 bonds (distance) P-C4' energy: -139.371 flat angles C4'-P-C4' energy: -136.932 flat angles P-C4'-P energy: -60.472 tors. eta vs tors. theta energy: -19.514 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: 3 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -3052.673104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.673104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.673104 (E_RNA) where: Base-Base interactions energy: -2173.065 where: short stacking energy: -852.880 Base-Backbone interact. energy: -4.297 local terms energy: -875.310757 where: bonds (distance) C4'-P energy: -147.933 bonds (distance) P-C4' energy: -179.418 flat angles C4'-P-C4' energy: -177.119 flat angles P-C4'-P energy: -121.667 tors. eta vs tors. theta energy: -249.174 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: 2, replica: 1 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2889.075101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.075101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.075101 (E_RNA) where: Base-Base interactions energy: -2056.795 where: short stacking energy: -842.336 Base-Backbone interact. energy: -8.030 local terms energy: -824.249270 where: bonds (distance) C4'-P energy: -143.460 bonds (distance) P-C4' energy: -163.314 flat angles C4'-P-C4' energy: -170.536 flat angles P-C4'-P energy: -117.814 tors. eta vs tors. theta energy: -229.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2764.266777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.266777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.266777 (E_RNA) where: Base-Base interactions energy: -1930.423 where: short stacking energy: -810.966 Base-Backbone interact. energy: -5.080 local terms energy: -828.764208 where: bonds (distance) C4'-P energy: -131.677 bonds (distance) P-C4' energy: -163.396 flat angles C4'-P-C4' energy: -178.956 flat angles P-C4'-P energy: -114.841 tors. eta vs tors. theta energy: -239.894 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: 7 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2595.197322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.197322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.197322 (E_RNA) where: Base-Base interactions energy: -1810.823 where: short stacking energy: -733.045 Base-Backbone interact. energy: -6.459 local terms energy: -777.916160 where: bonds (distance) C4'-P energy: -139.618 bonds (distance) P-C4' energy: -151.835 flat angles C4'-P-C4' energy: -173.134 flat angles P-C4'-P energy: -118.535 tors. eta vs tors. theta energy: -194.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -2516.054497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.054497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.054497 (E_RNA) where: Base-Base interactions energy: -1760.217 where: short stacking energy: -724.665 Base-Backbone interact. energy: -1.797 local terms energy: -754.040543 where: bonds (distance) C4'-P energy: -129.414 bonds (distance) P-C4' energy: -138.511 flat angles C4'-P-C4' energy: -170.022 flat angles P-C4'-P energy: -122.114 tors. eta vs tors. theta energy: -193.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -2337.444532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.444532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.444532 (E_RNA) where: Base-Base interactions energy: -1595.872 where: short stacking energy: -663.599 Base-Backbone interact. energy: 2.437 local terms energy: -744.009234 where: bonds (distance) C4'-P energy: -141.569 bonds (distance) P-C4' energy: -150.851 flat angles C4'-P-C4' energy: -162.788 flat angles P-C4'-P energy: -114.899 tors. eta vs tors. theta energy: -173.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -2131.598560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.598560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.598560 (E_RNA) where: Base-Base interactions energy: -1426.911 where: short stacking energy: -617.314 Base-Backbone interact. energy: -2.427 local terms energy: -702.260298 where: bonds (distance) C4'-P energy: -150.638 bonds (distance) P-C4' energy: -140.840 flat angles C4'-P-C4' energy: -162.466 flat angles P-C4'-P energy: -94.088 tors. eta vs tors. theta energy: -154.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1979.326042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.326042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.326042 (E_RNA) where: Base-Base interactions energy: -1348.417 where: short stacking energy: -577.666 Base-Backbone interact. energy: -2.744 local terms energy: -628.164958 where: bonds (distance) C4'-P energy: -135.112 bonds (distance) P-C4' energy: -144.534 flat angles C4'-P-C4' energy: -121.542 flat angles P-C4'-P energy: -81.104 tors. eta vs tors. theta energy: -145.872 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: 66 Temperature: 1.300000 Total energy: -1406.506271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.506271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.506271 (E_RNA) where: Base-Base interactions energy: -851.515 where: short stacking energy: -402.252 Base-Backbone interact. energy: -3.036 local terms energy: -551.955364 where: bonds (distance) C4'-P energy: -131.543 bonds (distance) P-C4' energy: -152.493 flat angles C4'-P-C4' energy: -130.246 flat angles P-C4'-P energy: -81.605 tors. eta vs tors. theta energy: -56.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -1119.952672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.952672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.952672 (E_RNA) where: Base-Base interactions energy: -637.382 where: short stacking energy: -301.007 Base-Backbone interact. energy: 2.520 local terms energy: -485.090711 where: bonds (distance) C4'-P energy: -134.021 bonds (distance) P-C4' energy: -140.110 flat angles C4'-P-C4' energy: -117.479 flat angles P-C4'-P energy: -77.756 tors. eta vs tors. theta energy: -15.725 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: 1, replica: 3 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -3073.820975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.820975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.820975 (E_RNA) where: Base-Base interactions energy: -2176.899 where: short stacking energy: -839.293 Base-Backbone interact. energy: -8.610 local terms energy: -888.312267 where: bonds (distance) C4'-P energy: -163.062 bonds (distance) P-C4' energy: -178.260 flat angles C4'-P-C4' energy: -179.745 flat angles P-C4'-P energy: -125.964 tors. eta vs tors. theta energy: -241.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2853.770885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.770885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.770885 (E_RNA) where: Base-Base interactions energy: -2019.722 where: short stacking energy: -815.896 Base-Backbone interact. energy: -4.975 local terms energy: -829.074452 where: bonds (distance) C4'-P energy: -161.496 bonds (distance) P-C4' energy: -155.976 flat angles C4'-P-C4' energy: -174.913 flat angles P-C4'-P energy: -118.500 tors. eta vs tors. theta energy: -218.189 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: 3, replica: 5 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2802.097677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.097677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.097677 (E_RNA) where: Base-Base interactions energy: -1954.768 where: short stacking energy: -797.191 Base-Backbone interact. energy: -4.782 local terms energy: -842.547260 where: bonds (distance) C4'-P energy: -149.725 bonds (distance) P-C4' energy: -163.297 flat angles C4'-P-C4' energy: -160.815 flat angles P-C4'-P energy: -129.229 tors. eta vs tors. theta energy: -239.481 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: 7 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2626.181235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.181235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.181235 (E_RNA) where: Base-Base interactions energy: -1827.971 where: short stacking energy: -749.108 Base-Backbone interact. energy: -2.832 local terms energy: -795.377880 where: bonds (distance) C4'-P energy: -128.204 bonds (distance) P-C4' energy: -169.656 flat angles C4'-P-C4' energy: -167.257 flat angles P-C4'-P energy: -118.419 tors. eta vs tors. theta energy: -211.840 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: 4 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -2559.371615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.371615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.371615 (E_RNA) where: Base-Base interactions energy: -1765.562 where: short stacking energy: -723.487 Base-Backbone interact. energy: -2.877 local terms energy: -790.932329 where: bonds (distance) C4'-P energy: -159.441 bonds (distance) P-C4' energy: -157.296 flat angles C4'-P-C4' energy: -171.434 flat angles P-C4'-P energy: -113.698 tors. eta vs tors. theta energy: -189.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -2360.895893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.895893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.895893 (E_RNA) where: Base-Base interactions energy: -1634.753 where: short stacking energy: -702.797 Base-Backbone interact. energy: -3.596 local terms energy: -722.546521 where: bonds (distance) C4'-P energy: -140.837 bonds (distance) P-C4' energy: -140.068 flat angles C4'-P-C4' energy: -164.757 flat angles P-C4'-P energy: -89.933 tors. eta vs tors. theta energy: -186.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -2152.638511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.638511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.638511 (E_RNA) where: Base-Base interactions energy: -1471.284 where: short stacking energy: -622.215 Base-Backbone interact. energy: -2.413 local terms energy: -678.941748 where: bonds (distance) C4'-P energy: -119.517 bonds (distance) P-C4' energy: -144.379 flat angles C4'-P-C4' energy: -159.553 flat angles P-C4'-P energy: -101.143 tors. eta vs tors. theta energy: -154.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1925.730454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.730454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.730454 (E_RNA) where: Base-Base interactions energy: -1298.492 where: short stacking energy: -566.115 Base-Backbone interact. energy: -0.094 local terms energy: -627.145233 where: bonds (distance) C4'-P energy: -124.960 bonds (distance) P-C4' energy: -145.100 flat angles C4'-P-C4' energy: -138.034 flat angles P-C4'-P energy: -84.268 tors. eta vs tors. theta energy: -134.783 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: 67 Temperature: 1.300000 Total energy: -1390.919636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.919636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.919636 (E_RNA) where: Base-Base interactions energy: -879.741 where: short stacking energy: -409.720 Base-Backbone interact. energy: -4.671 local terms energy: -506.508370 where: bonds (distance) C4'-P energy: -102.258 bonds (distance) P-C4' energy: -142.012 flat angles C4'-P-C4' energy: -135.935 flat angles P-C4'-P energy: -81.941 tors. eta vs tors. theta energy: -44.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -1085.417901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.417901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.417901 (E_RNA) where: Base-Base interactions energy: -619.011 where: short stacking energy: -292.072 Base-Backbone interact. energy: 3.796 local terms energy: -470.202200 where: bonds (distance) C4'-P energy: -111.710 bonds (distance) P-C4' energy: -146.527 flat angles C4'-P-C4' energy: -119.113 flat angles P-C4'-P energy: -79.338 tors. eta vs tors. theta energy: -13.514 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: 3 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -3055.151877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.151877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.151877 (E_RNA) where: Base-Base interactions energy: -2181.453 where: short stacking energy: -867.121 Base-Backbone interact. energy: -4.749 local terms energy: -868.949830 where: bonds (distance) C4'-P energy: -153.156 bonds (distance) P-C4' energy: -171.864 flat angles C4'-P-C4' energy: -183.491 flat angles P-C4'-P energy: -126.935 tors. eta vs tors. theta energy: -233.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2878.617676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.617676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.617676 (E_RNA) where: Base-Base interactions energy: -2006.902 where: short stacking energy: -791.048 Base-Backbone interact. energy: -8.033 local terms energy: -863.683326 where: bonds (distance) C4'-P energy: -141.551 bonds (distance) P-C4' energy: -166.928 flat angles C4'-P-C4' energy: -184.575 flat angles P-C4'-P energy: -131.632 tors. eta vs tors. theta energy: -238.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2802.678850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.678850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.678850 (E_RNA) where: Base-Base interactions energy: -1948.636 where: short stacking energy: -774.684 Base-Backbone interact. energy: -5.052 local terms energy: -848.990348 where: bonds (distance) C4'-P energy: -145.851 bonds (distance) P-C4' energy: -161.259 flat angles C4'-P-C4' energy: -190.840 flat angles P-C4'-P energy: -124.163 tors. eta vs tors. theta energy: -226.877 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: 4, replica: 7 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -2641.610564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.610564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.610564 (E_RNA) where: Base-Base interactions energy: -1808.870 where: short stacking energy: -769.461 Base-Backbone interact. energy: -3.847 local terms energy: -828.893666 where: bonds (distance) C4'-P energy: -159.739 bonds (distance) P-C4' energy: -163.480 flat angles C4'-P-C4' energy: -173.012 flat angles P-C4'-P energy: -122.838 tors. eta vs tors. theta energy: -209.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -2579.136739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.136739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.136739 (E_RNA) where: Base-Base interactions energy: -1786.992 where: short stacking energy: -720.783 Base-Backbone interact. energy: 2.810 local terms energy: -794.954543 where: bonds (distance) C4'-P energy: -149.727 bonds (distance) P-C4' energy: -164.890 flat angles C4'-P-C4' energy: -169.754 flat angles P-C4'-P energy: -108.622 tors. eta vs tors. theta energy: -201.961 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: 6, replica: 8 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -2381.006625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.006625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.006625 (E_RNA) where: Base-Base interactions energy: -1654.202 where: short stacking energy: -701.459 Base-Backbone interact. energy: -2.724 local terms energy: -724.080780 where: bonds (distance) C4'-P energy: -127.007 bonds (distance) P-C4' energy: -135.809 flat angles C4'-P-C4' energy: -153.615 flat angles P-C4'-P energy: -118.124 tors. eta vs tors. theta energy: -189.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -2113.158897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.158897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.158897 (E_RNA) where: Base-Base interactions energy: -1447.984 where: short stacking energy: -609.552 Base-Backbone interact. energy: -2.003 local terms energy: -663.171881 where: bonds (distance) C4'-P energy: -137.899 bonds (distance) P-C4' energy: -134.275 flat angles C4'-P-C4' energy: -150.042 flat angles P-C4'-P energy: -92.514 tors. eta vs tors. theta energy: -148.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1956.182853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.182853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.182853 (E_RNA) where: Base-Base interactions energy: -1323.140 where: short stacking energy: -573.137 Base-Backbone interact. energy: 5.881 local terms energy: -638.923871 where: bonds (distance) C4'-P energy: -111.190 bonds (distance) P-C4' energy: -146.241 flat angles C4'-P-C4' energy: -156.938 flat angles P-C4'-P energy: -88.250 tors. eta vs tors. theta energy: -136.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -1393.388375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.388375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.388375 (E_RNA) where: Base-Base interactions energy: -848.636 where: short stacking energy: -394.582 Base-Backbone interact. energy: 3.132 local terms energy: -547.884795 where: bonds (distance) C4'-P energy: -140.947 bonds (distance) P-C4' energy: -155.442 flat angles C4'-P-C4' energy: -117.628 flat angles P-C4'-P energy: -79.719 tors. eta vs tors. theta energy: -54.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -1070.414279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.414279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.414279 (E_RNA) where: Base-Base interactions energy: -608.592 where: short stacking energy: -310.646 Base-Backbone interact. energy: -0.263 local terms energy: -461.559515 where: bonds (distance) C4'-P energy: -128.042 bonds (distance) P-C4' energy: -133.710 flat angles C4'-P-C4' energy: -100.015 flat angles P-C4'-P energy: -81.232 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: 3 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -3072.363363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.363363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.363363 (E_RNA) where: Base-Base interactions energy: -2209.752 where: short stacking energy: -870.417 Base-Backbone interact. energy: -8.250 local terms energy: -854.362112 where: bonds (distance) C4'-P energy: -161.115 bonds (distance) P-C4' energy: -145.959 flat angles C4'-P-C4' energy: -177.651 flat angles P-C4'-P energy: -118.591 tors. eta vs tors. theta energy: -251.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2890.335839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.335839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.335839 (E_RNA) where: Base-Base interactions energy: -2041.881 where: short stacking energy: -821.225 Base-Backbone interact. energy: -6.928 local terms energy: -841.526409 where: bonds (distance) C4'-P energy: -151.735 bonds (distance) P-C4' energy: -179.361 flat angles C4'-P-C4' energy: -175.408 flat angles P-C4'-P energy: -104.446 tors. eta vs tors. theta energy: -230.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2820.123949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.123949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.123949 (E_RNA) where: Base-Base interactions energy: -1967.696 where: short stacking energy: -816.871 Base-Backbone interact. energy: -6.321 local terms energy: -846.107595 where: bonds (distance) C4'-P energy: -157.420 bonds (distance) P-C4' energy: -163.148 flat angles C4'-P-C4' energy: -179.143 flat angles P-C4'-P energy: -115.536 tors. eta vs tors. theta energy: -230.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2612.724556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.724556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.724556 (E_RNA) where: Base-Base interactions energy: -1823.525 where: short stacking energy: -738.554 Base-Backbone interact. energy: -3.091 local terms energy: -786.108644 where: bonds (distance) C4'-P energy: -155.182 bonds (distance) P-C4' energy: -157.699 flat angles C4'-P-C4' energy: -170.756 flat angles P-C4'-P energy: -105.427 tors. eta vs tors. theta energy: -197.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -2533.969888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.969888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.969888 (E_RNA) where: Base-Base interactions energy: -1746.249 where: short stacking energy: -747.565 Base-Backbone interact. energy: -3.678 local terms energy: -784.043024 where: bonds (distance) C4'-P energy: -153.768 bonds (distance) P-C4' energy: -141.840 flat angles C4'-P-C4' energy: -162.936 flat angles P-C4'-P energy: -119.517 tors. eta vs tors. theta energy: -205.982 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: 8 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -2413.587744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.587744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.587744 (E_RNA) where: Base-Base interactions energy: -1663.872 where: short stacking energy: -710.902 Base-Backbone interact. energy: -1.499 local terms energy: -748.216298 where: bonds (distance) C4'-P energy: -129.242 bonds (distance) P-C4' energy: -143.375 flat angles C4'-P-C4' energy: -166.974 flat angles P-C4'-P energy: -107.822 tors. eta vs tors. theta energy: -200.802 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: 69 Temperature: 1.200000 Total energy: -2189.773935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.773935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.773935 (E_RNA) where: Base-Base interactions energy: -1504.781 where: short stacking energy: -658.686 Base-Backbone interact. energy: -0.735 local terms energy: -684.258406 where: bonds (distance) C4'-P energy: -131.829 bonds (distance) P-C4' energy: -126.636 flat angles C4'-P-C4' energy: -153.115 flat angles P-C4'-P energy: -110.910 tors. eta vs tors. theta energy: -161.768 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: 2 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1928.464177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.464177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.464177 (E_RNA) where: Base-Base interactions energy: -1272.976 where: short stacking energy: -516.663 Base-Backbone interact. energy: 1.360 local terms energy: -656.847678 where: bonds (distance) C4'-P energy: -130.405 bonds (distance) P-C4' energy: -156.414 flat angles C4'-P-C4' energy: -151.150 flat angles P-C4'-P energy: -91.252 tors. eta vs tors. theta energy: -127.627 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: 69 Temperature: 1.300000 Total energy: -1324.030226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.030226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.030226 (E_RNA) where: Base-Base interactions energy: -787.434 where: short stacking energy: -344.510 Base-Backbone interact. energy: 6.837 local terms energy: -543.433099 where: bonds (distance) C4'-P energy: -143.036 bonds (distance) P-C4' energy: -158.298 flat angles C4'-P-C4' energy: -148.422 flat angles P-C4'-P energy: -61.969 tors. eta vs tors. theta energy: -31.709 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: 10, replica: 10 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -1113.288517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.288517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.288517 (E_RNA) where: Base-Base interactions energy: -620.587 where: short stacking energy: -342.078 Base-Backbone interact. energy: 3.128 local terms energy: -495.829806 where: bonds (distance) C4'-P energy: -133.752 bonds (distance) P-C4' energy: -153.487 flat angles C4'-P-C4' energy: -119.489 flat angles P-C4'-P energy: -46.355 tors. eta vs tors. theta energy: -42.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -3055.215855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.215855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.215855 (E_RNA) where: Base-Base interactions energy: -2192.857 where: short stacking energy: -856.421 Base-Backbone interact. energy: -6.008 local terms energy: -856.350476 where: bonds (distance) C4'-P energy: -153.218 bonds (distance) P-C4' energy: -158.146 flat angles C4'-P-C4' energy: -180.404 flat angles P-C4'-P energy: -120.851 tors. eta vs tors. theta energy: -243.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2824.612440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.612440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.612440 (E_RNA) where: Base-Base interactions energy: -1944.329 where: short stacking energy: -784.413 Base-Backbone interact. energy: -0.820 local terms energy: -879.463308 where: bonds (distance) C4'-P energy: -154.151 bonds (distance) P-C4' energy: -185.632 flat angles C4'-P-C4' energy: -180.442 flat angles P-C4'-P energy: -127.997 tors. eta vs tors. theta energy: -231.241 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: 5 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2790.824537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.824537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.824537 (E_RNA) where: Base-Base interactions energy: -1938.413 where: short stacking energy: -809.223 Base-Backbone interact. energy: -1.366 local terms energy: -851.046194 where: bonds (distance) C4'-P energy: -151.615 bonds (distance) P-C4' energy: -162.799 flat angles C4'-P-C4' energy: -173.327 flat angles P-C4'-P energy: -134.509 tors. eta vs tors. theta energy: -228.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -2620.946601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.946601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.946601 (E_RNA) where: Base-Base interactions energy: -1810.416 where: short stacking energy: -736.121 Base-Backbone interact. energy: -3.857 local terms energy: -806.673714 where: bonds (distance) C4'-P energy: -142.319 bonds (distance) P-C4' energy: -166.929 flat angles C4'-P-C4' energy: -177.528 flat angles P-C4'-P energy: -107.289 tors. eta vs tors. theta energy: -212.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -2499.187638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.187638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.187638 (E_RNA) where: Base-Base interactions energy: -1747.777 where: short stacking energy: -747.189 Base-Backbone interact. energy: -3.937 local terms energy: -747.473791 where: bonds (distance) C4'-P energy: -162.555 bonds (distance) P-C4' energy: -139.199 flat angles C4'-P-C4' energy: -159.029 flat angles P-C4'-P energy: -101.673 tors. eta vs tors. theta energy: -185.019 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: 8 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -2397.039244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.039244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.039244 (E_RNA) where: Base-Base interactions energy: -1672.921 where: short stacking energy: -696.963 Base-Backbone interact. energy: -4.679 local terms energy: -719.439379 where: bonds (distance) C4'-P energy: -136.224 bonds (distance) P-C4' energy: -143.708 flat angles C4'-P-C4' energy: -145.992 flat angles P-C4'-P energy: -112.239 tors. eta vs tors. theta energy: -181.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -2186.948771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.948771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.948771 (E_RNA) where: Base-Base interactions energy: -1499.571 where: short stacking energy: -620.975 Base-Backbone interact. energy: -3.199 local terms energy: -684.179336 where: bonds (distance) C4'-P energy: -134.451 bonds (distance) P-C4' energy: -133.466 flat angles C4'-P-C4' energy: -166.276 flat angles P-C4'-P energy: -104.133 tors. eta vs tors. theta energy: -145.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1842.632837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.632837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.632837 (E_RNA) where: Base-Base interactions energy: -1238.530 where: short stacking energy: -549.752 Base-Backbone interact. energy: -2.222 local terms energy: -601.880629 where: bonds (distance) C4'-P energy: -116.046 bonds (distance) P-C4' energy: -139.468 flat angles C4'-P-C4' energy: -144.294 flat angles P-C4'-P energy: -74.795 tors. eta vs tors. theta energy: -127.278 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: 9, replica: 9 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1327.138398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.138398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.138398 (E_RNA) where: Base-Base interactions energy: -831.340 where: short stacking energy: -399.154 Base-Backbone interact. energy: -1.243 local terms energy: -494.555260 where: bonds (distance) C4'-P energy: -108.470 bonds (distance) P-C4' energy: -151.455 flat angles C4'-P-C4' energy: -126.198 flat angles P-C4'-P energy: -83.533 tors. eta vs tors. theta energy: -24.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -1040.864496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.864496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.864496 (E_RNA) where: Base-Base interactions energy: -561.564 where: short stacking energy: -272.691 Base-Backbone interact. energy: 2.383 local terms energy: -481.683873 where: bonds (distance) C4'-P energy: -119.636 bonds (distance) P-C4' energy: -129.623 flat angles C4'-P-C4' energy: -124.014 flat angles P-C4'-P energy: -78.279 tors. eta vs tors. theta energy: -30.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -3062.617870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.617870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.617870 (E_RNA) where: Base-Base interactions energy: -2156.632 where: short stacking energy: -875.127 Base-Backbone interact. energy: -3.813 local terms energy: -902.172731 where: bonds (distance) C4'-P energy: -175.366 bonds (distance) P-C4' energy: -171.848 flat angles C4'-P-C4' energy: -177.470 flat angles P-C4'-P energy: -133.341 tors. eta vs tors. theta energy: -244.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2845.140817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.140817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.140817 (E_RNA) where: Base-Base interactions energy: -1977.374 where: short stacking energy: -836.269 Base-Backbone interact. energy: -4.794 local terms energy: -862.972855 where: bonds (distance) C4'-P energy: -140.259 bonds (distance) P-C4' energy: -170.737 flat angles C4'-P-C4' energy: -183.330 flat angles P-C4'-P energy: -134.205 tors. eta vs tors. theta energy: -234.441 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: 5 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2785.874442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.874442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.874442 (E_RNA) where: Base-Base interactions energy: -1936.530 where: short stacking energy: -814.445 Base-Backbone interact. energy: -3.750 local terms energy: -845.593751 where: bonds (distance) C4'-P energy: -142.428 bonds (distance) P-C4' energy: -161.193 flat angles C4'-P-C4' energy: -188.117 flat angles P-C4'-P energy: -117.807 tors. eta vs tors. theta energy: -236.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2574.598343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.598343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.598343 (E_RNA) where: Base-Base interactions energy: -1798.473 where: short stacking energy: -754.745 Base-Backbone interact. energy: -3.916 local terms energy: -772.209225 where: bonds (distance) C4'-P energy: -140.209 bonds (distance) P-C4' energy: -157.312 flat angles C4'-P-C4' energy: -163.212 flat angles P-C4'-P energy: -99.899 tors. eta vs tors. theta energy: -211.578 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: 5, replica: 7 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -2498.749782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.749782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.749782 (E_RNA) where: Base-Base interactions energy: -1726.185 where: short stacking energy: -728.431 Base-Backbone interact. energy: -2.194 local terms energy: -770.370993 where: bonds (distance) C4'-P energy: -136.058 bonds (distance) P-C4' energy: -153.925 flat angles C4'-P-C4' energy: -158.627 flat angles P-C4'-P energy: -115.712 tors. eta vs tors. theta energy: -206.049 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: 8 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -2379.568998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.568998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.568998 (E_RNA) where: Base-Base interactions energy: -1646.937 where: short stacking energy: -703.497 Base-Backbone interact. energy: -2.535 local terms energy: -730.097703 where: bonds (distance) C4'-P energy: -138.137 bonds (distance) P-C4' energy: -147.020 flat angles C4'-P-C4' energy: -151.693 flat angles P-C4'-P energy: -101.636 tors. eta vs tors. theta energy: -191.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -2056.525951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.525951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.525951 (E_RNA) where: Base-Base interactions energy: -1411.394 where: short stacking energy: -591.972 Base-Backbone interact. energy: 1.956 local terms energy: -647.087504 where: bonds (distance) C4'-P energy: -126.597 bonds (distance) P-C4' energy: -148.677 flat angles C4'-P-C4' energy: -137.607 flat angles P-C4'-P energy: -93.258 tors. eta vs tors. theta energy: -140.949 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: 2 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1875.752575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.752575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.752575 (E_RNA) where: Base-Base interactions energy: -1201.233 where: short stacking energy: -505.349 Base-Backbone interact. energy: -2.843 local terms energy: -671.676274 where: bonds (distance) C4'-P energy: -138.253 bonds (distance) P-C4' energy: -154.848 flat angles C4'-P-C4' energy: -175.784 flat angles P-C4'-P energy: -83.168 tors. eta vs tors. theta energy: -119.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -1319.313222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.313222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.313222 (E_RNA) where: Base-Base interactions energy: -802.829 where: short stacking energy: -368.778 Base-Backbone interact. energy: 5.632 local terms energy: -522.116234 where: bonds (distance) C4'-P energy: -120.982 bonds (distance) P-C4' energy: -154.265 flat angles C4'-P-C4' energy: -135.226 flat angles P-C4'-P energy: -81.359 tors. eta vs tors. theta energy: -30.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -1085.338816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.338816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.338816 (E_RNA) where: Base-Base interactions energy: -590.118 where: short stacking energy: -314.034 Base-Backbone interact. energy: -0.160 local terms energy: -495.061512 where: bonds (distance) C4'-P energy: -142.741 bonds (distance) P-C4' energy: -139.562 flat angles C4'-P-C4' energy: -111.863 flat angles P-C4'-P energy: -68.920 tors. eta vs tors. theta energy: -31.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -3072.370384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.370384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.370384 (E_RNA) where: Base-Base interactions energy: -2156.353 where: short stacking energy: -862.049 Base-Backbone interact. energy: -6.404 local terms energy: -909.613461 where: bonds (distance) C4'-P energy: -159.199 bonds (distance) P-C4' energy: -182.045 flat angles C4'-P-C4' energy: -190.239 flat angles P-C4'-P energy: -131.908 tors. eta vs tors. theta energy: -246.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2792.841624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.841624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.841624 (E_RNA) where: Base-Base interactions energy: -1953.471 where: short stacking energy: -798.617 Base-Backbone interact. energy: -7.221 local terms energy: -832.149506 where: bonds (distance) C4'-P energy: -158.489 bonds (distance) P-C4' energy: -174.855 flat angles C4'-P-C4' energy: -172.499 flat angles P-C4'-P energy: -105.798 tors. eta vs tors. theta energy: -220.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2790.484371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.484371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.484371 (E_RNA) where: Base-Base interactions energy: -1939.509 where: short stacking energy: -813.258 Base-Backbone interact. energy: -3.746 local terms energy: -847.229180 where: bonds (distance) C4'-P energy: -149.416 bonds (distance) P-C4' energy: -169.972 flat angles C4'-P-C4' energy: -174.760 flat angles P-C4'-P energy: -119.164 tors. eta vs tors. theta energy: -233.917 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: 4 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2580.828293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.828293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.828293 (E_RNA) where: Base-Base interactions energy: -1812.344 where: short stacking energy: -736.785 Base-Backbone interact. energy: 0.944 local terms energy: -769.428617 where: bonds (distance) C4'-P energy: -145.864 bonds (distance) P-C4' energy: -151.391 flat angles C4'-P-C4' energy: -169.014 flat angles P-C4'-P energy: -105.741 tors. eta vs tors. theta energy: -197.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -2471.246941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.246941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.246941 (E_RNA) where: Base-Base interactions energy: -1706.731 where: short stacking energy: -689.637 Base-Backbone interact. energy: -2.196 local terms energy: -762.319160 where: bonds (distance) C4'-P energy: -161.208 bonds (distance) P-C4' energy: -141.295 flat angles C4'-P-C4' energy: -167.550 flat angles P-C4'-P energy: -108.464 tors. eta vs tors. theta energy: -183.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -2398.836717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.836717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.836717 (E_RNA) where: Base-Base interactions energy: -1633.837 where: short stacking energy: -688.316 Base-Backbone interact. energy: -3.583 local terms energy: -761.417342 where: bonds (distance) C4'-P energy: -148.724 bonds (distance) P-C4' energy: -166.053 flat angles C4'-P-C4' energy: -149.333 flat angles P-C4'-P energy: -109.930 tors. eta vs tors. theta energy: -187.378 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: 72 Temperature: 1.200000 Total energy: -2103.419268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.419268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.419268 (E_RNA) where: Base-Base interactions energy: -1437.138 where: short stacking energy: -612.140 Base-Backbone interact. energy: -2.649 local terms energy: -663.632931 where: bonds (distance) C4'-P energy: -123.578 bonds (distance) P-C4' energy: -141.553 flat angles C4'-P-C4' energy: -150.842 flat angles P-C4'-P energy: -98.415 tors. eta vs tors. theta energy: -149.245 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: 2 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1753.012701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.012701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.012701 (E_RNA) where: Base-Base interactions energy: -1165.941 where: short stacking energy: -496.041 Base-Backbone interact. energy: -1.929 local terms energy: -585.142808 where: bonds (distance) C4'-P energy: -144.683 bonds (distance) P-C4' energy: -140.032 flat angles C4'-P-C4' energy: -120.706 flat angles P-C4'-P energy: -82.753 tors. eta vs tors. theta energy: -96.969 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: 72 Temperature: 1.300000 Total energy: -1290.389841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.389841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.389841 (E_RNA) where: Base-Base interactions energy: -779.131 where: short stacking energy: -350.411 Base-Backbone interact. energy: -2.837 local terms energy: -508.422579 where: bonds (distance) C4'-P energy: -119.702 bonds (distance) P-C4' energy: -153.169 flat angles C4'-P-C4' energy: -127.856 flat angles P-C4'-P energy: -82.150 tors. eta vs tors. theta energy: -25.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -1062.604621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.604621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.604621 (E_RNA) where: Base-Base interactions energy: -592.080 where: short stacking energy: -286.466 Base-Backbone interact. energy: 0.663 local terms energy: -471.187553 where: bonds (distance) C4'-P energy: -124.218 bonds (distance) P-C4' energy: -146.982 flat angles C4'-P-C4' energy: -121.864 flat angles P-C4'-P energy: -59.390 tors. eta vs tors. theta energy: -18.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -3038.196076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.196076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.196076 (E_RNA) where: Base-Base interactions energy: -2136.824 where: short stacking energy: -858.882 Base-Backbone interact. energy: -6.296 local terms energy: -895.075465 where: bonds (distance) C4'-P energy: -165.224 bonds (distance) P-C4' energy: -181.900 flat angles C4'-P-C4' energy: -171.766 flat angles P-C4'-P energy: -135.169 tors. eta vs tors. theta energy: -241.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2854.266376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.266376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.266376 (E_RNA) where: Base-Base interactions energy: -1956.519 where: short stacking energy: -821.792 Base-Backbone interact. energy: -6.103 local terms energy: -891.645011 where: bonds (distance) C4'-P energy: -161.130 bonds (distance) P-C4' energy: -175.679 flat angles C4'-P-C4' energy: -184.809 flat angles P-C4'-P energy: -135.640 tors. eta vs tors. theta energy: -234.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2819.862687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.862687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.862687 (E_RNA) where: Base-Base interactions energy: -1975.102 where: short stacking energy: -787.696 Base-Backbone interact. energy: -6.525 local terms energy: -838.235833 where: bonds (distance) C4'-P energy: -161.428 bonds (distance) P-C4' energy: -169.326 flat angles C4'-P-C4' energy: -177.675 flat angles P-C4'-P energy: -104.404 tors. eta vs tors. theta energy: -225.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2574.297631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.297631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.297631 (E_RNA) where: Base-Base interactions energy: -1790.932 where: short stacking energy: -749.992 Base-Backbone interact. energy: -4.435 local terms energy: -778.930118 where: bonds (distance) C4'-P energy: -146.494 bonds (distance) P-C4' energy: -149.430 flat angles C4'-P-C4' energy: -174.607 flat angles P-C4'-P energy: -111.490 tors. eta vs tors. theta energy: -196.909 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: 7 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -2529.951959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.951959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.951959 (E_RNA) where: Base-Base interactions energy: -1729.608 where: short stacking energy: -728.713 Base-Backbone interact. energy: 0.744 local terms energy: -801.087857 where: bonds (distance) C4'-P energy: -155.457 bonds (distance) P-C4' energy: -154.758 flat angles C4'-P-C4' energy: -167.324 flat angles P-C4'-P energy: -128.120 tors. eta vs tors. theta energy: -195.430 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: 8 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -2365.655634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.655634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.655634 (E_RNA) where: Base-Base interactions energy: -1621.172 where: short stacking energy: -672.631 Base-Backbone interact. energy: -1.997 local terms energy: -742.486354 where: bonds (distance) C4'-P energy: -128.207 bonds (distance) P-C4' energy: -165.091 flat angles C4'-P-C4' energy: -149.110 flat angles P-C4'-P energy: -103.748 tors. eta vs tors. theta energy: -196.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -2032.293926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.293926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.293926 (E_RNA) where: Base-Base interactions energy: -1355.773 where: short stacking energy: -560.864 Base-Backbone interact. energy: -0.064 local terms energy: -676.457674 where: bonds (distance) C4'-P energy: -137.958 bonds (distance) P-C4' energy: -152.009 flat angles C4'-P-C4' energy: -154.570 flat angles P-C4'-P energy: -101.855 tors. eta vs tors. theta energy: -130.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1725.424550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.424550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.424550 (E_RNA) where: Base-Base interactions energy: -1114.526 where: short stacking energy: -502.164 Base-Backbone interact. energy: 3.239 local terms energy: -614.136905 where: bonds (distance) C4'-P energy: -137.277 bonds (distance) P-C4' energy: -139.559 flat angles C4'-P-C4' energy: -151.180 flat angles P-C4'-P energy: -81.771 tors. eta vs tors. theta energy: -104.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -1339.253192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.253192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.253192 (E_RNA) where: Base-Base interactions energy: -800.114 where: short stacking energy: -374.093 Base-Backbone interact. energy: -2.617 local terms energy: -536.522586 where: bonds (distance) C4'-P energy: -125.576 bonds (distance) P-C4' energy: -160.823 flat angles C4'-P-C4' energy: -133.999 flat angles P-C4'-P energy: -71.902 tors. eta vs tors. theta energy: -44.222 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: 10 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -1056.591342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.591342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.591342 (E_RNA) where: Base-Base interactions energy: -589.035 where: short stacking energy: -294.805 Base-Backbone interact. energy: 0.732 local terms energy: -468.287841 where: bonds (distance) C4'-P energy: -123.198 bonds (distance) P-C4' energy: -148.103 flat angles C4'-P-C4' energy: -112.274 flat angles P-C4'-P energy: -59.725 tors. eta vs tors. theta energy: -24.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -3040.345147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.345147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.345147 (E_RNA) where: Base-Base interactions energy: -2156.969 where: short stacking energy: -831.930 Base-Backbone interact. energy: -2.983 local terms energy: -880.392970 where: bonds (distance) C4'-P energy: -159.712 bonds (distance) P-C4' energy: -182.857 flat angles C4'-P-C4' energy: -190.895 flat angles P-C4'-P energy: -115.984 tors. eta vs tors. theta energy: -230.944 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: 74 Temperature: 0.950000 Total energy: -2870.201489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.201489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.201489 (E_RNA) where: Base-Base interactions energy: -2003.942 where: short stacking energy: -848.361 Base-Backbone interact. energy: -3.493 local terms energy: -862.765933 where: bonds (distance) C4'-P energy: -148.095 bonds (distance) P-C4' energy: -169.943 flat angles C4'-P-C4' energy: -189.214 flat angles P-C4'-P energy: -110.539 tors. eta vs tors. theta energy: -244.974 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: 1 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2750.057129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.057129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.057129 (E_RNA) where: Base-Base interactions energy: -1928.486 where: short stacking energy: -768.047 Base-Backbone interact. energy: -7.365 local terms energy: -814.205490 where: bonds (distance) C4'-P energy: -162.487 bonds (distance) P-C4' energy: -154.131 flat angles C4'-P-C4' energy: -176.768 flat angles P-C4'-P energy: -106.988 tors. eta vs tors. theta energy: -213.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2604.054721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.054721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.054721 (E_RNA) where: Base-Base interactions energy: -1815.156 where: short stacking energy: -754.859 Base-Backbone interact. energy: -4.901 local terms energy: -783.998262 where: bonds (distance) C4'-P energy: -144.023 bonds (distance) P-C4' energy: -147.985 flat angles C4'-P-C4' energy: -171.074 flat angles P-C4'-P energy: -105.642 tors. eta vs tors. theta energy: -215.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -2589.317405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.317405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.317405 (E_RNA) where: Base-Base interactions energy: -1824.519 where: short stacking energy: -745.139 Base-Backbone interact. energy: -4.386 local terms energy: -760.412285 where: bonds (distance) C4'-P energy: -145.591 bonds (distance) P-C4' energy: -146.911 flat angles C4'-P-C4' energy: -157.894 flat angles P-C4'-P energy: -111.813 tors. eta vs tors. theta energy: -198.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -2357.139696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.139696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.139696 (E_RNA) where: Base-Base interactions energy: -1604.587 where: short stacking energy: -655.538 Base-Backbone interact. energy: -1.686 local terms energy: -750.866420 where: bonds (distance) C4'-P energy: -155.801 bonds (distance) P-C4' energy: -155.929 flat angles C4'-P-C4' energy: -158.237 flat angles P-C4'-P energy: -109.903 tors. eta vs tors. theta energy: -170.996 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: 74 Temperature: 1.200000 Total energy: -2054.398438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.398438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.398438 (E_RNA) where: Base-Base interactions energy: -1399.822 where: short stacking energy: -594.905 Base-Backbone interact. energy: -5.291 local terms energy: -649.285085 where: bonds (distance) C4'-P energy: -127.559 bonds (distance) P-C4' energy: -128.618 flat angles C4'-P-C4' energy: -149.826 flat angles P-C4'-P energy: -103.950 tors. eta vs tors. theta energy: -139.332 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: 2 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1756.547566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.547566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.547566 (E_RNA) where: Base-Base interactions energy: -1181.857 where: short stacking energy: -543.670 Base-Backbone interact. energy: 7.705 local terms energy: -582.395054 where: bonds (distance) C4'-P energy: -117.675 bonds (distance) P-C4' energy: -128.774 flat angles C4'-P-C4' energy: -136.784 flat angles P-C4'-P energy: -82.218 tors. eta vs tors. theta energy: -116.943 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: 74 Temperature: 1.300000 Total energy: -1362.206585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.206585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.206585 (E_RNA) where: Base-Base interactions energy: -856.107 where: short stacking energy: -386.224 Base-Backbone interact. energy: -3.759 local terms energy: -502.340618 where: bonds (distance) C4'-P energy: -125.792 bonds (distance) P-C4' energy: -132.035 flat angles C4'-P-C4' energy: -113.136 flat angles P-C4'-P energy: -75.994 tors. eta vs tors. theta energy: -55.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -1077.435911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.435911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.435911 (E_RNA) where: Base-Base interactions energy: -592.506 where: short stacking energy: -268.460 Base-Backbone interact. energy: 0.051 local terms energy: -484.981084 where: bonds (distance) C4'-P energy: -148.367 bonds (distance) P-C4' energy: -141.252 flat angles C4'-P-C4' energy: -129.551 flat angles P-C4'-P energy: -64.117 tors. eta vs tors. theta energy: -1.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -3071.630851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.630851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.630851 (E_RNA) where: Base-Base interactions energy: -2164.413 where: short stacking energy: -848.583 Base-Backbone interact. energy: -6.605 local terms energy: -900.613546 where: bonds (distance) C4'-P energy: -168.656 bonds (distance) P-C4' energy: -179.772 flat angles C4'-P-C4' energy: -188.391 flat angles P-C4'-P energy: -120.298 tors. eta vs tors. theta energy: -243.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2880.079165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.079165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.079165 (E_RNA) where: Base-Base interactions energy: -2007.866 where: short stacking energy: -859.049 Base-Backbone interact. energy: -3.294 local terms energy: -868.919010 where: bonds (distance) C4'-P energy: -143.823 bonds (distance) P-C4' energy: -168.611 flat angles C4'-P-C4' energy: -192.492 flat angles P-C4'-P energy: -120.941 tors. eta vs tors. theta energy: -243.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2773.711385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.711385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.711385 (E_RNA) where: Base-Base interactions energy: -1950.497 where: short stacking energy: -796.763 Base-Backbone interact. energy: -4.173 local terms energy: -819.041618 where: bonds (distance) C4'-P energy: -144.205 bonds (distance) P-C4' energy: -157.804 flat angles C4'-P-C4' energy: -175.196 flat angles P-C4'-P energy: -120.292 tors. eta vs tors. theta energy: -221.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2632.696619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.696619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.696619 (E_RNA) where: Base-Base interactions energy: -1832.943 where: short stacking energy: -770.619 Base-Backbone interact. energy: -3.205 local terms energy: -796.549373 where: bonds (distance) C4'-P energy: -143.389 bonds (distance) P-C4' energy: -157.694 flat angles C4'-P-C4' energy: -167.416 flat angles P-C4'-P energy: -118.026 tors. eta vs tors. theta energy: -210.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -2512.443355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.443355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.443355 (E_RNA) where: Base-Base interactions energy: -1761.289 where: short stacking energy: -725.270 Base-Backbone interact. energy: -0.823 local terms energy: -750.331681 where: bonds (distance) C4'-P energy: -135.969 bonds (distance) P-C4' energy: -151.197 flat angles C4'-P-C4' energy: -167.518 flat angles P-C4'-P energy: -90.819 tors. eta vs tors. theta energy: -204.828 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: 8 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -2351.088654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.088654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.088654 (E_RNA) where: Base-Base interactions energy: -1599.478 where: short stacking energy: -693.880 Base-Backbone interact. energy: -3.498 local terms energy: -748.112291 where: bonds (distance) C4'-P energy: -124.727 bonds (distance) P-C4' energy: -156.289 flat angles C4'-P-C4' energy: -158.331 flat angles P-C4'-P energy: -113.760 tors. eta vs tors. theta energy: -195.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -2071.411354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.411354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.411354 (E_RNA) where: Base-Base interactions energy: -1397.661 where: short stacking energy: -599.710 Base-Backbone interact. energy: 4.819 local terms energy: -678.569446 where: bonds (distance) C4'-P energy: -126.924 bonds (distance) P-C4' energy: -147.857 flat angles C4'-P-C4' energy: -165.290 flat angles P-C4'-P energy: -93.821 tors. eta vs tors. theta energy: -144.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1713.639492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.639492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.639492 (E_RNA) where: Base-Base interactions energy: -1113.273 where: short stacking energy: -481.552 Base-Backbone interact. energy: 2.877 local terms energy: -603.243438 where: bonds (distance) C4'-P energy: -124.810 bonds (distance) P-C4' energy: -152.732 flat angles C4'-P-C4' energy: -125.732 flat angles P-C4'-P energy: -101.104 tors. eta vs tors. theta energy: -98.866 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: 75 Temperature: 1.300000 Total energy: -1329.367276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.367276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.367276 (E_RNA) where: Base-Base interactions energy: -814.221 where: short stacking energy: -363.562 Base-Backbone interact. energy: 0.001 local terms energy: -515.147062 where: bonds (distance) C4'-P energy: -129.763 bonds (distance) P-C4' energy: -145.113 flat angles C4'-P-C4' energy: -130.962 flat angles P-C4'-P energy: -72.157 tors. eta vs tors. theta energy: -37.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -1134.628750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.628750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.628750 (E_RNA) where: Base-Base interactions energy: -595.066 where: short stacking energy: -317.446 Base-Backbone interact. energy: 1.474 local terms energy: -541.036447 where: bonds (distance) C4'-P energy: -133.479 bonds (distance) P-C4' energy: -141.415 flat angles C4'-P-C4' energy: -148.981 flat angles P-C4'-P energy: -84.015 tors. eta vs tors. theta energy: -33.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -3025.550145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.550145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.550145 (E_RNA) where: Base-Base interactions energy: -2151.684 where: short stacking energy: -828.349 Base-Backbone interact. energy: -4.252 local terms energy: -869.614807 where: bonds (distance) C4'-P energy: -170.497 bonds (distance) P-C4' energy: -182.002 flat angles C4'-P-C4' energy: -173.176 flat angles P-C4'-P energy: -119.539 tors. eta vs tors. theta energy: -224.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2855.928272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.928272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.928272 (E_RNA) where: Base-Base interactions energy: -1971.018 where: short stacking energy: -817.827 Base-Backbone interact. energy: -5.945 local terms energy: -878.965191 where: bonds (distance) C4'-P energy: -165.928 bonds (distance) P-C4' energy: -165.754 flat angles C4'-P-C4' energy: -168.548 flat angles P-C4'-P energy: -138.103 tors. eta vs tors. theta energy: -240.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2796.365239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.365239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.365239 (E_RNA) where: Base-Base interactions energy: -1955.609 where: short stacking energy: -781.351 Base-Backbone interact. energy: -5.045 local terms energy: -835.711481 where: bonds (distance) C4'-P energy: -150.607 bonds (distance) P-C4' energy: -164.264 flat angles C4'-P-C4' energy: -181.614 flat angles P-C4'-P energy: -125.715 tors. eta vs tors. theta energy: -213.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -2612.490412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.490412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.490412 (E_RNA) where: Base-Base interactions energy: -1832.071 where: short stacking energy: -792.219 Base-Backbone interact. energy: -1.087 local terms energy: -779.332496 where: bonds (distance) C4'-P energy: -128.820 bonds (distance) P-C4' energy: -151.929 flat angles C4'-P-C4' energy: -161.055 flat angles P-C4'-P energy: -122.912 tors. eta vs tors. theta energy: -214.616 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: 7 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -2523.234052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.234052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.234052 (E_RNA) where: Base-Base interactions energy: -1765.271 where: short stacking energy: -730.079 Base-Backbone interact. energy: -4.653 local terms energy: -753.310463 where: bonds (distance) C4'-P energy: -147.701 bonds (distance) P-C4' energy: -144.096 flat angles C4'-P-C4' energy: -178.329 flat angles P-C4'-P energy: -81.336 tors. eta vs tors. theta energy: -201.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -2324.052681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.052681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.052681 (E_RNA) where: Base-Base interactions energy: -1599.662 where: short stacking energy: -654.461 Base-Backbone interact. energy: -2.268 local terms energy: -722.123450 where: bonds (distance) C4'-P energy: -148.215 bonds (distance) P-C4' energy: -147.759 flat angles C4'-P-C4' energy: -149.470 flat angles P-C4'-P energy: -104.586 tors. eta vs tors. theta energy: -172.093 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: 6 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -2066.765495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.765495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.765495 (E_RNA) where: Base-Base interactions energy: -1390.441 where: short stacking energy: -561.854 Base-Backbone interact. energy: -1.672 local terms energy: -675.148683 where: bonds (distance) C4'-P energy: -134.346 bonds (distance) P-C4' energy: -155.643 flat angles C4'-P-C4' energy: -163.092 flat angles P-C4'-P energy: -90.369 tors. eta vs tors. theta energy: -131.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.496 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1792.857365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.857365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.857365 (E_RNA) where: Base-Base interactions energy: -1170.509 where: short stacking energy: -508.420 Base-Backbone interact. energy: -1.387 local terms energy: -620.961591 where: bonds (distance) C4'-P energy: -131.108 bonds (distance) P-C4' energy: -146.129 flat angles C4'-P-C4' energy: -153.508 flat angles P-C4'-P energy: -86.696 tors. eta vs tors. theta energy: -103.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -1327.586721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.586721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.586721 (E_RNA) where: Base-Base interactions energy: -810.734 where: short stacking energy: -368.457 Base-Backbone interact. energy: 9.781 local terms energy: -526.633505 where: bonds (distance) C4'-P energy: -129.837 bonds (distance) P-C4' energy: -157.098 flat angles C4'-P-C4' energy: -126.408 flat angles P-C4'-P energy: -80.627 tors. eta vs tors. theta energy: -32.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -1148.546397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.546397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.546397 (E_RNA) where: Base-Base interactions energy: -660.482 where: short stacking energy: -339.176 Base-Backbone interact. energy: -2.239 local terms energy: -485.825607 where: bonds (distance) C4'-P energy: -131.323 bonds (distance) P-C4' energy: -141.839 flat angles C4'-P-C4' energy: -125.852 flat angles P-C4'-P energy: -66.418 tors. eta vs tors. theta energy: -20.394 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: 77 Temperature: 0.900000 Total energy: -3046.579529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.579529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.579529 (E_RNA) where: Base-Base interactions energy: -2165.144 where: short stacking energy: -870.308 Base-Backbone interact. energy: -7.012 local terms energy: -874.423656 where: bonds (distance) C4'-P energy: -150.302 bonds (distance) P-C4' energy: -175.502 flat angles C4'-P-C4' energy: -172.643 flat angles P-C4'-P energy: -134.515 tors. eta vs tors. theta energy: -241.461 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: 5 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2829.342587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.342587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.342587 (E_RNA) where: Base-Base interactions energy: -1947.996 where: short stacking energy: -809.835 Base-Backbone interact. energy: -2.812 local terms energy: -878.533954 where: bonds (distance) C4'-P energy: -163.261 bonds (distance) P-C4' energy: -158.568 flat angles C4'-P-C4' energy: -181.812 flat angles P-C4'-P energy: -140.652 tors. eta vs tors. theta energy: -234.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2759.377452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.377452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.377452 (E_RNA) where: Base-Base interactions energy: -1928.324 where: short stacking energy: -772.208 Base-Backbone interact. energy: -7.044 local terms energy: -824.008854 where: bonds (distance) C4'-P energy: -161.460 bonds (distance) P-C4' energy: -157.255 flat angles C4'-P-C4' energy: -177.562 flat angles P-C4'-P energy: -110.990 tors. eta vs tors. theta energy: -216.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2610.170709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.170709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.170709 (E_RNA) where: Base-Base interactions energy: -1811.344 where: short stacking energy: -766.709 Base-Backbone interact. energy: -5.486 local terms energy: -793.340834 where: bonds (distance) C4'-P energy: -139.027 bonds (distance) P-C4' energy: -162.996 flat angles C4'-P-C4' energy: -170.229 flat angles P-C4'-P energy: -117.607 tors. eta vs tors. theta energy: -203.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -2540.188915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.188915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.188915 (E_RNA) where: Base-Base interactions energy: -1782.256 where: short stacking energy: -743.765 Base-Backbone interact. energy: -2.167 local terms energy: -755.766483 where: bonds (distance) C4'-P energy: -142.984 bonds (distance) P-C4' energy: -137.293 flat angles C4'-P-C4' energy: -174.761 flat angles P-C4'-P energy: -94.028 tors. eta vs tors. theta energy: -206.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -2319.470079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.470079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.470079 (E_RNA) where: Base-Base interactions energy: -1625.504 where: short stacking energy: -710.682 Base-Backbone interact. energy: 2.723 local terms energy: -696.689520 where: bonds (distance) C4'-P energy: -142.735 bonds (distance) P-C4' energy: -128.211 flat angles C4'-P-C4' energy: -158.803 flat angles P-C4'-P energy: -86.963 tors. eta vs tors. theta energy: -179.976 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: 77 Temperature: 1.200000 Total energy: -2040.396807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.396807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.396807 (E_RNA) where: Base-Base interactions energy: -1404.978 where: short stacking energy: -583.367 Base-Backbone interact. energy: 1.563 local terms energy: -636.981215 where: bonds (distance) C4'-P energy: -116.106 bonds (distance) P-C4' energy: -147.566 flat angles C4'-P-C4' energy: -179.086 flat angles P-C4'-P energy: -76.409 tors. eta vs tors. theta energy: -117.815 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: 77 Temperature: 1.250000 Total energy: -1735.794864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.794864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.794864 (E_RNA) where: Base-Base interactions energy: -1112.894 where: short stacking energy: -477.482 Base-Backbone interact. energy: -2.015 local terms energy: -620.884913 where: bonds (distance) C4'-P energy: -132.259 bonds (distance) P-C4' energy: -158.836 flat angles C4'-P-C4' energy: -137.776 flat angles P-C4'-P energy: -96.885 tors. eta vs tors. theta energy: -95.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -1363.804126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.804126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.804126 (E_RNA) where: Base-Base interactions energy: -822.407 where: short stacking energy: -364.863 Base-Backbone interact. energy: 2.177 local terms energy: -543.574320 where: bonds (distance) C4'-P energy: -146.441 bonds (distance) P-C4' energy: -145.364 flat angles C4'-P-C4' energy: -135.288 flat angles P-C4'-P energy: -79.434 tors. eta vs tors. theta energy: -37.047 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: 10 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -1122.380537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.380537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.380537 (E_RNA) where: Base-Base interactions energy: -633.330 where: short stacking energy: -297.495 Base-Backbone interact. energy: 2.086 local terms energy: -491.136288 where: bonds (distance) C4'-P energy: -127.863 bonds (distance) P-C4' energy: -152.563 flat angles C4'-P-C4' energy: -113.795 flat angles P-C4'-P energy: -72.956 tors. eta vs tors. theta energy: -23.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -3039.847455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.847455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.847455 (E_RNA) where: Base-Base interactions energy: -2157.713 where: short stacking energy: -867.506 Base-Backbone interact. energy: -2.429 local terms energy: -879.705772 where: bonds (distance) C4'-P energy: -155.591 bonds (distance) P-C4' energy: -161.797 flat angles C4'-P-C4' energy: -198.966 flat angles P-C4'-P energy: -126.783 tors. eta vs tors. theta energy: -236.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2859.392098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.392098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.392098 (E_RNA) where: Base-Base interactions energy: -2006.320 where: short stacking energy: -819.916 Base-Backbone interact. energy: -1.572 local terms energy: -851.499390 where: bonds (distance) C4'-P energy: -140.850 bonds (distance) P-C4' energy: -157.505 flat angles C4'-P-C4' energy: -183.507 flat angles P-C4'-P energy: -131.858 tors. eta vs tors. theta energy: -237.779 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: 1 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2764.181755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.181755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.181755 (E_RNA) where: Base-Base interactions energy: -1924.754 where: short stacking energy: -763.978 Base-Backbone interact. energy: -3.024 local terms energy: -836.403724 where: bonds (distance) C4'-P energy: -162.067 bonds (distance) P-C4' energy: -172.292 flat angles C4'-P-C4' energy: -177.033 flat angles P-C4'-P energy: -116.263 tors. eta vs tors. theta energy: -208.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2585.029010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.029010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.029010 (E_RNA) where: Base-Base interactions energy: -1796.374 where: short stacking energy: -751.972 Base-Backbone interact. energy: -4.503 local terms energy: -784.151199 where: bonds (distance) C4'-P energy: -137.281 bonds (distance) P-C4' energy: -170.587 flat angles C4'-P-C4' energy: -162.000 flat angles P-C4'-P energy: -116.288 tors. eta vs tors. theta energy: -197.995 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: 5, replica: 7 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -2525.910927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.910927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.910927 (E_RNA) where: Base-Base interactions energy: -1750.129 where: short stacking energy: -744.368 Base-Backbone interact. energy: -4.407 local terms energy: -771.374549 where: bonds (distance) C4'-P energy: -134.152 bonds (distance) P-C4' energy: -153.135 flat angles C4'-P-C4' energy: -162.869 flat angles P-C4'-P energy: -101.060 tors. eta vs tors. theta energy: -220.159 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: 8 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -2389.750416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.750416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.750416 (E_RNA) where: Base-Base interactions energy: -1656.291 where: short stacking energy: -693.692 Base-Backbone interact. energy: 3.027 local terms energy: -736.486307 where: bonds (distance) C4'-P energy: -139.972 bonds (distance) P-C4' energy: -154.698 flat angles C4'-P-C4' energy: -159.441 flat angles P-C4'-P energy: -103.679 tors. eta vs tors. theta energy: -178.697 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: 7, replica: 6 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -2130.309822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.309822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.309822 (E_RNA) where: Base-Base interactions energy: -1453.364 where: short stacking energy: -607.566 Base-Backbone interact. energy: 1.357 local terms energy: -678.303140 where: bonds (distance) C4'-P energy: -143.191 bonds (distance) P-C4' energy: -143.755 flat angles C4'-P-C4' energy: -157.001 flat angles P-C4'-P energy: -86.458 tors. eta vs tors. theta energy: -147.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1762.239941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.239941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.239941 (E_RNA) where: Base-Base interactions energy: -1148.645 where: short stacking energy: -494.807 Base-Backbone interact. energy: -0.724 local terms energy: -612.871383 where: bonds (distance) C4'-P energy: -128.838 bonds (distance) P-C4' energy: -141.648 flat angles C4'-P-C4' energy: -152.820 flat angles P-C4'-P energy: -84.334 tors. eta vs tors. theta energy: -105.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -1399.209187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.209187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.209187 (E_RNA) where: Base-Base interactions energy: -866.045 where: short stacking energy: -425.183 Base-Backbone interact. energy: -2.131 local terms energy: -531.033716 where: bonds (distance) C4'-P energy: -131.018 bonds (distance) P-C4' energy: -147.925 flat angles C4'-P-C4' energy: -114.192 flat angles P-C4'-P energy: -62.981 tors. eta vs tors. theta energy: -74.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -1096.109291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.109291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.109291 (E_RNA) where: Base-Base interactions energy: -626.941 where: short stacking energy: -314.975 Base-Backbone interact. energy: 2.090 local terms energy: -471.258114 where: bonds (distance) C4'-P energy: -102.785 bonds (distance) P-C4' energy: -146.250 flat angles C4'-P-C4' energy: -133.396 flat angles P-C4'-P energy: -72.166 tors. eta vs tors. theta energy: -16.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -3041.563253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.563253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.563253 (E_RNA) where: Base-Base interactions energy: -2180.809 where: short stacking energy: -882.104 Base-Backbone interact. energy: -9.450 local terms energy: -851.304470 where: bonds (distance) C4'-P energy: -151.677 bonds (distance) P-C4' energy: -176.243 flat angles C4'-P-C4' energy: -180.502 flat angles P-C4'-P energy: -109.626 tors. eta vs tors. theta energy: -233.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2877.587932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.587932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.587932 (E_RNA) where: Base-Base interactions energy: -2017.817 where: short stacking energy: -853.604 Base-Backbone interact. energy: -3.607 local terms energy: -856.164463 where: bonds (distance) C4'-P energy: -155.061 bonds (distance) P-C4' energy: -164.218 flat angles C4'-P-C4' energy: -183.051 flat angles P-C4'-P energy: -118.490 tors. eta vs tors. theta energy: -235.344 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: 1 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2783.505937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.505937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.505937 (E_RNA) where: Base-Base interactions energy: -1959.537 where: short stacking energy: -783.327 Base-Backbone interact. energy: -1.751 local terms energy: -822.218601 where: bonds (distance) C4'-P energy: -141.116 bonds (distance) P-C4' energy: -175.257 flat angles C4'-P-C4' energy: -176.741 flat angles P-C4'-P energy: -116.157 tors. eta vs tors. theta energy: -212.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2631.365872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.365872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.365872 (E_RNA) where: Base-Base interactions energy: -1820.295 where: short stacking energy: -750.590 Base-Backbone interact. energy: -1.619 local terms energy: -809.451641 where: bonds (distance) C4'-P energy: -135.938 bonds (distance) P-C4' energy: -165.052 flat angles C4'-P-C4' energy: -168.715 flat angles P-C4'-P energy: -122.016 tors. eta vs tors. theta energy: -217.730 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: 7 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -2544.134628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.134628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.134628 (E_RNA) where: Base-Base interactions energy: -1747.266 where: short stacking energy: -718.628 Base-Backbone interact. energy: -2.489 local terms energy: -794.379041 where: bonds (distance) C4'-P energy: -155.438 bonds (distance) P-C4' energy: -159.906 flat angles C4'-P-C4' energy: -161.973 flat angles P-C4'-P energy: -107.279 tors. eta vs tors. theta energy: -209.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -2375.254780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.254780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.254780 (E_RNA) where: Base-Base interactions energy: -1689.299 where: short stacking energy: -686.564 Base-Backbone interact. energy: 0.089 local terms energy: -686.044819 where: bonds (distance) C4'-P energy: -140.546 bonds (distance) P-C4' energy: -127.100 flat angles C4'-P-C4' energy: -146.502 flat angles P-C4'-P energy: -103.079 tors. eta vs tors. theta energy: -168.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -2052.032826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.032826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.032826 (E_RNA) where: Base-Base interactions energy: -1370.844 where: short stacking energy: -595.109 Base-Backbone interact. energy: -2.137 local terms energy: -679.714616 where: bonds (distance) C4'-P energy: -132.391 bonds (distance) P-C4' energy: -149.811 flat angles C4'-P-C4' energy: -151.348 flat angles P-C4'-P energy: -101.536 tors. eta vs tors. theta energy: -144.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.663 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1840.645589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.645589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.645589 (E_RNA) where: Base-Base interactions energy: -1219.755 where: short stacking energy: -547.691 Base-Backbone interact. energy: -2.815 local terms energy: -618.076251 where: bonds (distance) C4'-P energy: -136.532 bonds (distance) P-C4' energy: -142.484 flat angles C4'-P-C4' energy: -125.757 flat angles P-C4'-P energy: -77.811 tors. eta vs tors. theta energy: -135.492 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: 9, replica: 9 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -1385.528738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.528738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.528738 (E_RNA) where: Base-Base interactions energy: -850.398 where: short stacking energy: -379.315 Base-Backbone interact. energy: 2.101 local terms energy: -537.231346 where: bonds (distance) C4'-P energy: -129.654 bonds (distance) P-C4' energy: -154.456 flat angles C4'-P-C4' energy: -118.086 flat angles P-C4'-P energy: -74.358 tors. eta vs tors. theta energy: -60.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -1101.029187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.029187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.029187 (E_RNA) where: Base-Base interactions energy: -627.920 where: short stacking energy: -313.279 Base-Backbone interact. energy: -1.162 local terms energy: -471.946804 where: bonds (distance) C4'-P energy: -134.913 bonds (distance) P-C4' energy: -131.210 flat angles C4'-P-C4' energy: -112.656 flat angles P-C4'-P energy: -73.549 tors. eta vs tors. theta energy: -19.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -3050.816698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.816698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.816698 (E_RNA) where: Base-Base interactions energy: -2166.929 where: short stacking energy: -849.654 Base-Backbone interact. energy: -7.065 local terms energy: -876.823014 where: bonds (distance) C4'-P energy: -154.536 bonds (distance) P-C4' energy: -173.566 flat angles C4'-P-C4' energy: -185.037 flat angles P-C4'-P energy: -124.769 tors. eta vs tors. theta energy: -238.915 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: 2, replica: 5 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2876.352399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.352399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.352399 (E_RNA) where: Base-Base interactions energy: -2023.381 where: short stacking energy: -829.582 Base-Backbone interact. energy: -4.445 local terms energy: -848.526553 where: bonds (distance) C4'-P energy: -148.831 bonds (distance) P-C4' energy: -175.410 flat angles C4'-P-C4' energy: -178.544 flat angles P-C4'-P energy: -110.979 tors. eta vs tors. theta energy: -234.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2751.555363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.555363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.555363 (E_RNA) where: Base-Base interactions energy: -1922.975 where: short stacking energy: -784.758 Base-Backbone interact. energy: -3.624 local terms energy: -824.956101 where: bonds (distance) C4'-P energy: -159.932 bonds (distance) P-C4' energy: -162.058 flat angles C4'-P-C4' energy: -171.881 flat angles P-C4'-P energy: -119.621 tors. eta vs tors. theta energy: -211.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2641.239883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.239883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.239883 (E_RNA) where: Base-Base interactions energy: -1807.739 where: short stacking energy: -747.861 Base-Backbone interact. energy: -5.025 local terms energy: -828.476449 where: bonds (distance) C4'-P energy: -156.785 bonds (distance) P-C4' energy: -170.666 flat angles C4'-P-C4' energy: -174.132 flat angles P-C4'-P energy: -132.124 tors. eta vs tors. theta energy: -194.769 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: 5, replica: 8 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -2436.592982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.592982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.592982 (E_RNA) where: Base-Base interactions energy: -1655.861 where: short stacking energy: -692.651 Base-Backbone interact. energy: -2.855 local terms energy: -777.876540 where: bonds (distance) C4'-P energy: -150.729 bonds (distance) P-C4' energy: -156.330 flat angles C4'-P-C4' energy: -154.888 flat angles P-C4'-P energy: -118.050 tors. eta vs tors. theta energy: -197.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -2477.986885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.986885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.986885 (E_RNA) where: Base-Base interactions energy: -1736.132 where: short stacking energy: -751.516 Base-Backbone interact. energy: -5.389 local terms energy: -736.465753 where: bonds (distance) C4'-P energy: -134.287 bonds (distance) P-C4' energy: -116.987 flat angles C4'-P-C4' energy: -159.578 flat angles P-C4'-P energy: -114.367 tors. eta vs tors. theta energy: -211.247 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: 6 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -2065.328183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.328183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.328183 (E_RNA) where: Base-Base interactions energy: -1428.681 where: short stacking energy: -591.432 Base-Backbone interact. energy: -3.461 local terms energy: -633.186536 where: bonds (distance) C4'-P energy: -124.913 bonds (distance) P-C4' energy: -141.853 flat angles C4'-P-C4' energy: -149.753 flat angles P-C4'-P energy: -86.355 tors. eta vs tors. theta energy: -130.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1863.264513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.264513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.264513 (E_RNA) where: Base-Base interactions energy: -1253.898 where: short stacking energy: -557.253 Base-Backbone interact. energy: -2.733 local terms energy: -606.633423 where: bonds (distance) C4'-P energy: -118.173 bonds (distance) P-C4' energy: -139.806 flat angles C4'-P-C4' energy: -122.169 flat angles P-C4'-P energy: -89.009 tors. eta vs tors. theta energy: -137.477 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: 80 Temperature: 1.300000 Total energy: -1379.615009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.615009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.615009 (E_RNA) where: Base-Base interactions energy: -856.304 where: short stacking energy: -399.671 Base-Backbone interact. energy: -1.977 local terms energy: -521.333988 where: bonds (distance) C4'-P energy: -144.116 bonds (distance) P-C4' energy: -124.556 flat angles C4'-P-C4' energy: -129.559 flat angles P-C4'-P energy: -59.710 tors. eta vs tors. theta energy: -63.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -1057.676250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.676250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.676250 (E_RNA) where: Base-Base interactions energy: -603.110 where: short stacking energy: -311.653 Base-Backbone interact. energy: 5.877 local terms energy: -460.443254 where: bonds (distance) C4'-P energy: -125.619 bonds (distance) P-C4' energy: -132.070 flat angles C4'-P-C4' energy: -117.076 flat angles P-C4'-P energy: -62.978 tors. eta vs tors. theta energy: -22.700 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: 3 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -3044.984677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.984677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.984677 (E_RNA) where: Base-Base interactions energy: -2164.897 where: short stacking energy: -878.379 Base-Backbone interact. energy: -9.649 local terms energy: -870.438556 where: bonds (distance) C4'-P energy: -162.758 bonds (distance) P-C4' energy: -160.078 flat angles C4'-P-C4' energy: -182.207 flat angles P-C4'-P energy: -128.559 tors. eta vs tors. theta energy: -236.837 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: 81 Temperature: 0.950000 Total energy: -2834.682646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.682646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.682646 (E_RNA) where: Base-Base interactions energy: -1985.334 where: short stacking energy: -857.722 Base-Backbone interact. energy: -3.979 local terms energy: -845.369558 where: bonds (distance) C4'-P energy: -151.482 bonds (distance) P-C4' energy: -171.317 flat angles C4'-P-C4' energy: -171.568 flat angles P-C4'-P energy: -105.556 tors. eta vs tors. theta energy: -245.448 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: 1 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2742.878790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.878790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.878790 (E_RNA) where: Base-Base interactions energy: -1932.152 where: short stacking energy: -771.998 Base-Backbone interact. energy: -2.473 local terms energy: -808.253582 where: bonds (distance) C4'-P energy: -141.632 bonds (distance) P-C4' energy: -165.449 flat angles C4'-P-C4' energy: -178.748 flat angles P-C4'-P energy: -111.180 tors. eta vs tors. theta energy: -211.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2625.974237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.974237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.974237 (E_RNA) where: Base-Base interactions energy: -1814.193 where: short stacking energy: -775.725 Base-Backbone interact. energy: -3.502 local terms energy: -808.279520 where: bonds (distance) C4'-P energy: -153.184 bonds (distance) P-C4' energy: -160.363 flat angles C4'-P-C4' energy: -161.973 flat angles P-C4'-P energy: -117.041 tors. eta vs tors. theta energy: -215.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -2500.118707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.118707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.118707 (E_RNA) where: Base-Base interactions energy: -1700.518 where: short stacking energy: -714.716 Base-Backbone interact. energy: -5.548 local terms energy: -794.051808 where: bonds (distance) C4'-P energy: -144.293 bonds (distance) P-C4' energy: -160.691 flat angles C4'-P-C4' energy: -175.114 flat angles P-C4'-P energy: -113.695 tors. eta vs tors. theta energy: -200.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -2402.828108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.828108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.828108 (E_RNA) where: Base-Base interactions energy: -1668.957 where: short stacking energy: -695.473 Base-Backbone interact. energy: 0.745 local terms energy: -734.616410 where: bonds (distance) C4'-P energy: -141.029 bonds (distance) P-C4' energy: -159.053 flat angles C4'-P-C4' energy: -134.675 flat angles P-C4'-P energy: -110.559 tors. eta vs tors. theta energy: -189.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -2129.330938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.330938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.330938 (E_RNA) where: Base-Base interactions energy: -1450.055 where: short stacking energy: -610.445 Base-Backbone interact. energy: -4.019 local terms energy: -675.257557 where: bonds (distance) C4'-P energy: -123.690 bonds (distance) P-C4' energy: -148.310 flat angles C4'-P-C4' energy: -158.129 flat angles P-C4'-P energy: -94.928 tors. eta vs tors. theta energy: -150.200 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: 8, replica: 2 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1816.064438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.064438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.064438 (E_RNA) where: Base-Base interactions energy: -1223.450 where: short stacking energy: -522.495 Base-Backbone interact. energy: -2.880 local terms energy: -589.734666 where: bonds (distance) C4'-P energy: -111.434 bonds (distance) P-C4' energy: -148.440 flat angles C4'-P-C4' energy: -137.597 flat angles P-C4'-P energy: -82.833 tors. eta vs tors. theta energy: -109.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -1379.211739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.211739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.211739 (E_RNA) where: Base-Base interactions energy: -832.530 where: short stacking energy: -367.925 Base-Backbone interact. energy: -0.380 local terms energy: -546.302142 where: bonds (distance) C4'-P energy: -133.977 bonds (distance) P-C4' energy: -157.065 flat angles C4'-P-C4' energy: -131.323 flat angles P-C4'-P energy: -76.358 tors. eta vs tors. theta energy: -47.580 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: 10, replica: 10 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -1028.911942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.911942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.911942 (E_RNA) where: Base-Base interactions energy: -541.355 where: short stacking energy: -264.266 Base-Backbone interact. energy: -0.502 local terms energy: -487.054838 where: bonds (distance) C4'-P energy: -132.791 bonds (distance) P-C4' energy: -124.763 flat angles C4'-P-C4' energy: -132.092 flat angles P-C4'-P energy: -76.691 tors. eta vs tors. theta energy: -20.718 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: 3 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -3065.484236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.484236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.484236 (E_RNA) where: Base-Base interactions energy: -2190.466 where: short stacking energy: -851.077 Base-Backbone interact. energy: -3.766 local terms energy: -871.252958 where: bonds (distance) C4'-P energy: -161.467 bonds (distance) P-C4' energy: -161.585 flat angles C4'-P-C4' energy: -173.424 flat angles P-C4'-P energy: -139.976 tors. eta vs tors. theta energy: -234.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2833.643470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.643470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.643470 (E_RNA) where: Base-Base interactions energy: -1976.245 where: short stacking energy: -839.990 Base-Backbone interact. energy: -4.618 local terms energy: -852.780648 where: bonds (distance) C4'-P energy: -150.805 bonds (distance) P-C4' energy: -163.085 flat angles C4'-P-C4' energy: -186.130 flat angles P-C4'-P energy: -117.461 tors. eta vs tors. theta energy: -235.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2749.084263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.084263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.084263 (E_RNA) where: Base-Base interactions energy: -1906.542 where: short stacking energy: -787.412 Base-Backbone interact. energy: -2.905 local terms energy: -839.636907 where: bonds (distance) C4'-P energy: -160.484 bonds (distance) P-C4' energy: -157.328 flat angles C4'-P-C4' energy: -180.582 flat angles P-C4'-P energy: -124.725 tors. eta vs tors. theta energy: -216.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -2612.785895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.785895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.785895 (E_RNA) where: Base-Base interactions energy: -1807.616 where: short stacking energy: -741.748 Base-Backbone interact. energy: -4.854 local terms energy: -800.315212 where: bonds (distance) C4'-P energy: -151.034 bonds (distance) P-C4' energy: -148.758 flat angles C4'-P-C4' energy: -175.124 flat angles P-C4'-P energy: -118.331 tors. eta vs tors. theta energy: -207.069 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: 8 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -2465.328179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.328179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.328179 (E_RNA) where: Base-Base interactions energy: -1684.621 where: short stacking energy: -735.572 Base-Backbone interact. energy: -1.837 local terms energy: -778.869952 where: bonds (distance) C4'-P energy: -136.266 bonds (distance) P-C4' energy: -155.750 flat angles C4'-P-C4' energy: -156.906 flat angles P-C4'-P energy: -120.987 tors. eta vs tors. theta energy: -208.961 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: 6, replica: 7 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -2373.715182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.715182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.715182 (E_RNA) where: Base-Base interactions energy: -1615.186 where: short stacking energy: -663.690 Base-Backbone interact. energy: -4.261 local terms energy: -754.268325 where: bonds (distance) C4'-P energy: -136.300 bonds (distance) P-C4' energy: -154.695 flat angles C4'-P-C4' energy: -175.320 flat angles P-C4'-P energy: -109.645 tors. eta vs tors. theta energy: -178.309 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: 82 Temperature: 1.200000 Total energy: -2065.586228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.586228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.586228 (E_RNA) where: Base-Base interactions energy: -1418.115 where: short stacking energy: -608.966 Base-Backbone interact. energy: -1.418 local terms energy: -646.052980 where: bonds (distance) C4'-P energy: -132.875 bonds (distance) P-C4' energy: -140.149 flat angles C4'-P-C4' energy: -135.421 flat angles P-C4'-P energy: -93.037 tors. eta vs tors. theta energy: -144.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1885.533947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.533947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.533947 (E_RNA) where: Base-Base interactions energy: -1214.922 where: short stacking energy: -543.655 Base-Backbone interact. energy: 0.005 local terms energy: -670.616766 where: bonds (distance) C4'-P energy: -129.022 bonds (distance) P-C4' energy: -164.825 flat angles C4'-P-C4' energy: -159.970 flat angles P-C4'-P energy: -96.229 tors. eta vs tors. theta energy: -120.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -1379.126938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.126938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.126938 (E_RNA) where: Base-Base interactions energy: -867.370 where: short stacking energy: -386.618 Base-Backbone interact. energy: 8.197 local terms energy: -519.953890 where: bonds (distance) C4'-P energy: -114.874 bonds (distance) P-C4' energy: -149.284 flat angles C4'-P-C4' energy: -118.562 flat angles P-C4'-P energy: -74.393 tors. eta vs tors. theta energy: -62.841 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: 10, replica: 10 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -966.541399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.541399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.541399 (E_RNA) where: Base-Base interactions energy: -538.084 where: short stacking energy: -302.432 Base-Backbone interact. energy: -0.653 local terms energy: -427.804406 where: bonds (distance) C4'-P energy: -123.230 bonds (distance) P-C4' energy: -123.902 flat angles C4'-P-C4' energy: -108.891 flat angles P-C4'-P energy: -65.189 tors. eta vs tors. theta energy: -6.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -3090.045265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.045265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.045265 (E_RNA) where: Base-Base interactions energy: -2183.281 where: short stacking energy: -870.147 Base-Backbone interact. energy: 4.944 local terms energy: -911.707872 where: bonds (distance) C4'-P energy: -175.590 bonds (distance) P-C4' energy: -158.943 flat angles C4'-P-C4' energy: -190.715 flat angles P-C4'-P energy: -140.635 tors. eta vs tors. theta energy: -245.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2854.625326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.625326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.625326 (E_RNA) where: Base-Base interactions energy: -2003.989 where: short stacking energy: -851.853 Base-Backbone interact. energy: -0.532 local terms energy: -850.103651 where: bonds (distance) C4'-P energy: -154.296 bonds (distance) P-C4' energy: -162.232 flat angles C4'-P-C4' energy: -179.781 flat angles P-C4'-P energy: -111.636 tors. eta vs tors. theta energy: -242.158 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: 1 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2799.880625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.880625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.880625 (E_RNA) where: Base-Base interactions energy: -1971.160 where: short stacking energy: -808.205 Base-Backbone interact. energy: -4.636 local terms energy: -824.084470 where: bonds (distance) C4'-P energy: -144.899 bonds (distance) P-C4' energy: -161.171 flat angles C4'-P-C4' energy: -174.125 flat angles P-C4'-P energy: -118.570 tors. eta vs tors. theta energy: -225.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2637.028026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.028026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.028026 (E_RNA) where: Base-Base interactions energy: -1842.500 where: short stacking energy: -765.116 Base-Backbone interact. energy: -4.607 local terms energy: -789.920900 where: bonds (distance) C4'-P energy: -152.084 bonds (distance) P-C4' energy: -166.432 flat angles C4'-P-C4' energy: -157.605 flat angles P-C4'-P energy: -107.646 tors. eta vs tors. theta energy: -206.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -2491.112284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.112284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.112284 (E_RNA) where: Base-Base interactions energy: -1714.476 where: short stacking energy: -719.228 Base-Backbone interact. energy: 1.789 local terms energy: -778.425683 where: bonds (distance) C4'-P energy: -128.002 bonds (distance) P-C4' energy: -162.470 flat angles C4'-P-C4' energy: -175.001 flat angles P-C4'-P energy: -106.338 tors. eta vs tors. theta energy: -206.614 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: 7 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -2390.449976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.449976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.449976 (E_RNA) where: Base-Base interactions energy: -1659.586 where: short stacking energy: -676.923 Base-Backbone interact. energy: 1.403 local terms energy: -732.266408 where: bonds (distance) C4'-P energy: -132.445 bonds (distance) P-C4' energy: -150.846 flat angles C4'-P-C4' energy: -164.882 flat angles P-C4'-P energy: -103.123 tors. eta vs tors. theta energy: -180.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -2172.925351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.925351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.925351 (E_RNA) where: Base-Base interactions energy: -1467.943 where: short stacking energy: -616.656 Base-Backbone interact. energy: 4.811 local terms energy: -709.793293 where: bonds (distance) C4'-P energy: -150.259 bonds (distance) P-C4' energy: -149.657 flat angles C4'-P-C4' energy: -150.466 flat angles P-C4'-P energy: -110.292 tors. eta vs tors. theta energy: -149.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1846.200549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.200549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.200549 (E_RNA) where: Base-Base interactions energy: -1240.210 where: short stacking energy: -560.526 Base-Backbone interact. energy: -1.514 local terms energy: -604.476388 where: bonds (distance) C4'-P energy: -132.002 bonds (distance) P-C4' energy: -126.046 flat angles C4'-P-C4' energy: -144.274 flat angles P-C4'-P energy: -84.974 tors. eta vs tors. theta energy: -117.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -1310.590361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.590361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.590361 (E_RNA) where: Base-Base interactions energy: -783.056 where: short stacking energy: -377.079 Base-Backbone interact. energy: 2.681 local terms energy: -530.215177 where: bonds (distance) C4'-P energy: -138.090 bonds (distance) P-C4' energy: -157.899 flat angles C4'-P-C4' energy: -130.711 flat angles P-C4'-P energy: -67.012 tors. eta vs tors. theta energy: -36.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -855.501793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.501793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.501793 (E_RNA) where: Base-Base interactions energy: -449.468 where: short stacking energy: -268.246 Base-Backbone interact. energy: 4.973 local terms energy: -411.006428 where: bonds (distance) C4'-P energy: -136.005 bonds (distance) P-C4' energy: -123.353 flat angles C4'-P-C4' energy: -105.576 flat angles P-C4'-P energy: -65.014 tors. eta vs tors. theta energy: 18.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -3096.160755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.160755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.160755 (E_RNA) where: Base-Base interactions energy: -2200.177 where: short stacking energy: -884.629 Base-Backbone interact. energy: -5.062 local terms energy: -890.921671 where: bonds (distance) C4'-P energy: -146.784 bonds (distance) P-C4' energy: -175.619 flat angles C4'-P-C4' energy: -182.988 flat angles P-C4'-P energy: -133.573 tors. eta vs tors. theta energy: -251.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2879.985835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.985835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.985835 (E_RNA) where: Base-Base interactions energy: -2013.378 where: short stacking energy: -843.459 Base-Backbone interact. energy: -4.271 local terms energy: -862.337403 where: bonds (distance) C4'-P energy: -146.235 bonds (distance) P-C4' energy: -165.575 flat angles C4'-P-C4' energy: -192.034 flat angles P-C4'-P energy: -129.244 tors. eta vs tors. theta energy: -229.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2780.493228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.493228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.493228 (E_RNA) where: Base-Base interactions energy: -1966.595 where: short stacking energy: -816.597 Base-Backbone interact. energy: -4.745 local terms energy: -809.152460 where: bonds (distance) C4'-P energy: -137.434 bonds (distance) P-C4' energy: -165.974 flat angles C4'-P-C4' energy: -155.174 flat angles P-C4'-P energy: -119.735 tors. eta vs tors. theta energy: -230.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2625.728240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.728240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.728240 (E_RNA) where: Base-Base interactions energy: -1816.423 where: short stacking energy: -741.438 Base-Backbone interact. energy: -5.945 local terms energy: -803.359710 where: bonds (distance) C4'-P energy: -144.369 bonds (distance) P-C4' energy: -169.134 flat angles C4'-P-C4' energy: -165.063 flat angles P-C4'-P energy: -116.238 tors. eta vs tors. theta energy: -208.556 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: 8 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -2477.381025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.381025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.381025 (E_RNA) where: Base-Base interactions energy: -1720.387 where: short stacking energy: -717.984 Base-Backbone interact. energy: 2.101 local terms energy: -759.094889 where: bonds (distance) C4'-P energy: -139.416 bonds (distance) P-C4' energy: -143.561 flat angles C4'-P-C4' energy: -160.381 flat angles P-C4'-P energy: -117.469 tors. eta vs tors. theta energy: -198.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -2423.890285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.890285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.890285 (E_RNA) where: Base-Base interactions energy: -1696.830 where: short stacking energy: -720.577 Base-Backbone interact. energy: 3.988 local terms energy: -731.048016 where: bonds (distance) C4'-P energy: -141.902 bonds (distance) P-C4' energy: -138.301 flat angles C4'-P-C4' energy: -161.855 flat angles P-C4'-P energy: -108.286 tors. eta vs tors. theta energy: -180.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -2176.823247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.823247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.823247 (E_RNA) where: Base-Base interactions energy: -1530.157 where: short stacking energy: -611.342 Base-Backbone interact. energy: -1.530 local terms energy: -645.136819 where: bonds (distance) C4'-P energy: -124.549 bonds (distance) P-C4' energy: -137.255 flat angles C4'-P-C4' energy: -154.363 flat angles P-C4'-P energy: -85.688 tors. eta vs tors. theta energy: -143.281 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: 2 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1810.507758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.507758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.507758 (E_RNA) where: Base-Base interactions energy: -1212.050 where: short stacking energy: -501.351 Base-Backbone interact. energy: -2.005 local terms energy: -596.452682 where: bonds (distance) C4'-P energy: -132.622 bonds (distance) P-C4' energy: -131.695 flat angles C4'-P-C4' energy: -125.707 flat angles P-C4'-P energy: -81.169 tors. eta vs tors. theta energy: -125.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -1316.601415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.601415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.601415 (E_RNA) where: Base-Base interactions energy: -785.558 where: short stacking energy: -367.919 Base-Backbone interact. energy: 3.383 local terms energy: -534.426764 where: bonds (distance) C4'-P energy: -125.763 bonds (distance) P-C4' energy: -136.819 flat angles C4'-P-C4' energy: -126.531 flat angles P-C4'-P energy: -98.250 tors. eta vs tors. theta energy: -47.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -963.573224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.573224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.573224 (E_RNA) where: Base-Base interactions energy: -532.415 where: short stacking energy: -277.474 Base-Backbone interact. energy: 8.070 local terms energy: -439.227944 where: bonds (distance) C4'-P energy: -127.086 bonds (distance) P-C4' energy: -123.869 flat angles C4'-P-C4' energy: -119.703 flat angles P-C4'-P energy: -67.741 tors. eta vs tors. theta energy: -0.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -3108.545409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.545409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.545409 (E_RNA) where: Base-Base interactions energy: -2192.463 where: short stacking energy: -882.623 Base-Backbone interact. energy: -4.670 local terms energy: -911.411635 where: bonds (distance) C4'-P energy: -168.089 bonds (distance) P-C4' energy: -173.736 flat angles C4'-P-C4' energy: -194.422 flat angles P-C4'-P energy: -122.159 tors. eta vs tors. theta energy: -253.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2883.161091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.161091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.161091 (E_RNA) where: Base-Base interactions energy: -2017.075 where: short stacking energy: -826.848 Base-Backbone interact. energy: -0.749 local terms energy: -865.336628 where: bonds (distance) C4'-P energy: -156.989 bonds (distance) P-C4' energy: -169.976 flat angles C4'-P-C4' energy: -192.389 flat angles P-C4'-P energy: -117.510 tors. eta vs tors. theta energy: -228.473 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: 1 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2785.072357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.072357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.072357 (E_RNA) where: Base-Base interactions energy: -1970.168 where: short stacking energy: -804.539 Base-Backbone interact. energy: -2.814 local terms energy: -812.090926 where: bonds (distance) C4'-P energy: -144.231 bonds (distance) P-C4' energy: -144.964 flat angles C4'-P-C4' energy: -178.038 flat angles P-C4'-P energy: -118.969 tors. eta vs tors. theta energy: -225.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2642.897564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.897564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.897564 (E_RNA) where: Base-Base interactions energy: -1814.340 where: short stacking energy: -757.309 Base-Backbone interact. energy: -4.879 local terms energy: -823.678663 where: bonds (distance) C4'-P energy: -144.767 bonds (distance) P-C4' energy: -178.337 flat angles C4'-P-C4' energy: -193.692 flat angles P-C4'-P energy: -113.186 tors. eta vs tors. theta energy: -193.697 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: 5, replica: 8 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -2455.471282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.471282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.471282 (E_RNA) where: Base-Base interactions energy: -1687.654 where: short stacking energy: -719.383 Base-Backbone interact. energy: -2.840 local terms energy: -764.976499 where: bonds (distance) C4'-P energy: -142.702 bonds (distance) P-C4' energy: -147.717 flat angles C4'-P-C4' energy: -146.993 flat angles P-C4'-P energy: -123.322 tors. eta vs tors. theta energy: -204.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -2453.693159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.693159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.693159 (E_RNA) where: Base-Base interactions energy: -1729.686 where: short stacking energy: -719.075 Base-Backbone interact. energy: 3.028 local terms energy: -727.035072 where: bonds (distance) C4'-P energy: -125.225 bonds (distance) P-C4' energy: -144.523 flat angles C4'-P-C4' energy: -170.004 flat angles P-C4'-P energy: -94.634 tors. eta vs tors. theta energy: -192.649 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: 6 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -2235.438412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.438412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.438412 (E_RNA) where: Base-Base interactions energy: -1546.041 where: short stacking energy: -651.903 Base-Backbone interact. energy: -2.589 local terms energy: -686.808054 where: bonds (distance) C4'-P energy: -122.433 bonds (distance) P-C4' energy: -159.372 flat angles C4'-P-C4' energy: -149.339 flat angles P-C4'-P energy: -89.856 tors. eta vs tors. theta energy: -165.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1911.207842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.207842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.207842 (E_RNA) where: Base-Base interactions energy: -1282.551 where: short stacking energy: -534.712 Base-Backbone interact. energy: -1.838 local terms energy: -626.819262 where: bonds (distance) C4'-P energy: -114.641 bonds (distance) P-C4' energy: -134.312 flat angles C4'-P-C4' energy: -142.931 flat angles P-C4'-P energy: -105.028 tors. eta vs tors. theta energy: -129.907 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: 9, replica: 9 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -1379.745384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.745384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.745384 (E_RNA) where: Base-Base interactions energy: -839.375 where: short stacking energy: -422.318 Base-Backbone interact. energy: -0.058 local terms energy: -540.313141 where: bonds (distance) C4'-P energy: -130.308 bonds (distance) P-C4' energy: -136.032 flat angles C4'-P-C4' energy: -103.472 flat angles P-C4'-P energy: -96.893 tors. eta vs tors. theta energy: -73.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -973.147504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.147504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.147504 (E_RNA) where: Base-Base interactions energy: -495.497 where: short stacking energy: -271.842 Base-Backbone interact. energy: -2.335 local terms energy: -475.518898 where: bonds (distance) C4'-P energy: -155.694 bonds (distance) P-C4' energy: -166.993 flat angles C4'-P-C4' energy: -99.394 flat angles P-C4'-P energy: -62.082 tors. eta vs tors. theta energy: 8.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.203 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -3072.346159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.346159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.346159 (E_RNA) where: Base-Base interactions energy: -2165.643 where: short stacking energy: -868.472 Base-Backbone interact. energy: -6.262 local terms energy: -900.441229 where: bonds (distance) C4'-P energy: -161.066 bonds (distance) P-C4' energy: -172.869 flat angles C4'-P-C4' energy: -190.273 flat angles P-C4'-P energy: -132.627 tors. eta vs tors. theta energy: -243.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2837.616084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.616084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.616084 (E_RNA) where: Base-Base interactions energy: -1986.898 where: short stacking energy: -826.345 Base-Backbone interact. energy: -5.832 local terms energy: -844.886188 where: bonds (distance) C4'-P energy: -149.270 bonds (distance) P-C4' energy: -168.072 flat angles C4'-P-C4' energy: -180.078 flat angles P-C4'-P energy: -123.815 tors. eta vs tors. theta energy: -223.652 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: 86 Temperature: 1.000000 Total energy: -2775.090459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.090459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.090459 (E_RNA) where: Base-Base interactions energy: -1938.597 where: short stacking energy: -800.823 Base-Backbone interact. energy: -5.497 local terms energy: -830.996788 where: bonds (distance) C4'-P energy: -153.211 bonds (distance) P-C4' energy: -148.571 flat angles C4'-P-C4' energy: -187.556 flat angles P-C4'-P energy: -124.398 tors. eta vs tors. theta energy: -217.261 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: 4 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2608.448440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.448440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.448440 (E_RNA) where: Base-Base interactions energy: -1796.715 where: short stacking energy: -788.978 Base-Backbone interact. energy: -4.010 local terms energy: -807.723432 where: bonds (distance) C4'-P energy: -130.210 bonds (distance) P-C4' energy: -169.489 flat angles C4'-P-C4' energy: -183.183 flat angles P-C4'-P energy: -105.214 tors. eta vs tors. theta energy: -219.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -2510.365239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.365239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.365239 (E_RNA) where: Base-Base interactions energy: -1751.722 where: short stacking energy: -747.189 Base-Backbone interact. energy: -5.603 local terms energy: -753.040813 where: bonds (distance) C4'-P energy: -117.329 bonds (distance) P-C4' energy: -142.124 flat angles C4'-P-C4' energy: -163.764 flat angles P-C4'-P energy: -124.774 tors. eta vs tors. theta energy: -205.049 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: 8 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -2424.310273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.310273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.310273 (E_RNA) where: Base-Base interactions energy: -1656.621 where: short stacking energy: -681.531 Base-Backbone interact. energy: -1.858 local terms energy: -765.831002 where: bonds (distance) C4'-P energy: -146.979 bonds (distance) P-C4' energy: -157.383 flat angles C4'-P-C4' energy: -155.774 flat angles P-C4'-P energy: -115.656 tors. eta vs tors. theta energy: -190.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -2185.851838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.851838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.851838 (E_RNA) where: Base-Base interactions energy: -1499.557 where: short stacking energy: -629.595 Base-Backbone interact. energy: -4.329 local terms energy: -681.965758 where: bonds (distance) C4'-P energy: -134.086 bonds (distance) P-C4' energy: -133.563 flat angles C4'-P-C4' energy: -141.527 flat angles P-C4'-P energy: -92.362 tors. eta vs tors. theta energy: -180.428 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: 2 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1985.705339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.705339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.705339 (E_RNA) where: Base-Base interactions energy: -1290.514 where: short stacking energy: -566.481 Base-Backbone interact. energy: -1.800 local terms energy: -693.391251 where: bonds (distance) C4'-P energy: -144.181 bonds (distance) P-C4' energy: -164.015 flat angles C4'-P-C4' energy: -142.987 flat angles P-C4'-P energy: -102.328 tors. eta vs tors. theta energy: -139.880 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: 9 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -1340.997260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.997260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.997260 (E_RNA) where: Base-Base interactions energy: -781.365 where: short stacking energy: -352.882 Base-Backbone interact. energy: -0.388 local terms energy: -559.243659 where: bonds (distance) C4'-P energy: -116.308 bonds (distance) P-C4' energy: -150.180 flat angles C4'-P-C4' energy: -130.953 flat angles P-C4'-P energy: -107.688 tors. eta vs tors. theta energy: -54.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -904.002275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.002275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.002275 (E_RNA) where: Base-Base interactions energy: -451.109 where: short stacking energy: -249.879 Base-Backbone interact. energy: 2.883 local terms energy: -455.775712 where: bonds (distance) C4'-P energy: -136.976 bonds (distance) P-C4' energy: -134.588 flat angles C4'-P-C4' energy: -116.354 flat angles P-C4'-P energy: -69.900 tors. eta vs tors. theta energy: 2.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -3069.976619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.976619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.976619 (E_RNA) where: Base-Base interactions energy: -2174.357 where: short stacking energy: -857.366 Base-Backbone interact. energy: -3.628 local terms energy: -891.991627 where: bonds (distance) C4'-P energy: -153.042 bonds (distance) P-C4' energy: -180.048 flat angles C4'-P-C4' energy: -177.934 flat angles P-C4'-P energy: -137.018 tors. eta vs tors. theta energy: -243.950 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: 1 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2842.454086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.454086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.454086 (E_RNA) where: Base-Base interactions energy: -1993.966 where: short stacking energy: -848.384 Base-Backbone interact. energy: -4.428 local terms energy: -844.060327 where: bonds (distance) C4'-P energy: -169.789 bonds (distance) P-C4' energy: -143.460 flat angles C4'-P-C4' energy: -164.516 flat angles P-C4'-P energy: -121.231 tors. eta vs tors. theta energy: -245.064 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: 87 Temperature: 1.000000 Total energy: -2776.356119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.356119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.356119 (E_RNA) where: Base-Base interactions energy: -1941.690 where: short stacking energy: -819.168 Base-Backbone interact. energy: -3.579 local terms energy: -831.086390 where: bonds (distance) C4'-P energy: -144.457 bonds (distance) P-C4' energy: -161.028 flat angles C4'-P-C4' energy: -173.179 flat angles P-C4'-P energy: -120.708 tors. eta vs tors. theta energy: -231.714 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: 87 Temperature: 1.050000 Total energy: -2589.031706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.031706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.031706 (E_RNA) where: Base-Base interactions energy: -1780.417 where: short stacking energy: -754.958 Base-Backbone interact. energy: -5.099 local terms energy: -803.516014 where: bonds (distance) C4'-P energy: -146.302 bonds (distance) P-C4' energy: -170.482 flat angles C4'-P-C4' energy: -183.102 flat angles P-C4'-P energy: -89.727 tors. eta vs tors. theta energy: -213.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -2556.086606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.086606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.086606 (E_RNA) where: Base-Base interactions energy: -1801.695 where: short stacking energy: -755.056 Base-Backbone interact. energy: -2.562 local terms energy: -751.829417 where: bonds (distance) C4'-P energy: -128.311 bonds (distance) P-C4' energy: -150.965 flat angles C4'-P-C4' energy: -161.186 flat angles P-C4'-P energy: -102.651 tors. eta vs tors. theta energy: -208.717 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: 8 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -2444.036307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.036307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.036307 (E_RNA) where: Base-Base interactions energy: -1657.461 where: short stacking energy: -716.710 Base-Backbone interact. energy: -1.836 local terms energy: -784.739527 where: bonds (distance) C4'-P energy: -147.055 bonds (distance) P-C4' energy: -169.458 flat angles C4'-P-C4' energy: -175.397 flat angles P-C4'-P energy: -98.962 tors. eta vs tors. theta energy: -193.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -2184.065571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.065571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.065571 (E_RNA) where: Base-Base interactions energy: -1522.219 where: short stacking energy: -621.735 Base-Backbone interact. energy: -1.863 local terms energy: -659.983772 where: bonds (distance) C4'-P energy: -111.813 bonds (distance) P-C4' energy: -141.772 flat angles C4'-P-C4' energy: -141.179 flat angles P-C4'-P energy: -104.543 tors. eta vs tors. theta energy: -160.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1961.949361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.949361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.949361 (E_RNA) where: Base-Base interactions energy: -1327.165 where: short stacking energy: -565.953 Base-Backbone interact. energy: -3.111 local terms energy: -631.673233 where: bonds (distance) C4'-P energy: -131.448 bonds (distance) P-C4' energy: -126.719 flat angles C4'-P-C4' energy: -144.514 flat angles P-C4'-P energy: -100.254 tors. eta vs tors. theta energy: -128.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -1383.329553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.329553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.329553 (E_RNA) where: Base-Base interactions energy: -844.098 where: short stacking energy: -387.617 Base-Backbone interact. energy: 0.543 local terms energy: -539.775170 where: bonds (distance) C4'-P energy: -116.643 bonds (distance) P-C4' energy: -144.922 flat angles C4'-P-C4' energy: -139.723 flat angles P-C4'-P energy: -81.071 tors. eta vs tors. theta energy: -57.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -851.757506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.757506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.757506 (E_RNA) where: Base-Base interactions energy: -395.320 where: short stacking energy: -213.242 Base-Backbone interact. energy: 0.068 local terms energy: -456.504614 where: bonds (distance) C4'-P energy: -119.941 bonds (distance) P-C4' energy: -150.450 flat angles C4'-P-C4' energy: -108.592 flat angles P-C4'-P energy: -79.418 tors. eta vs tors. theta energy: 1.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -3063.386471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.386471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.386471 (E_RNA) where: Base-Base interactions energy: -2178.022 where: short stacking energy: -871.261 Base-Backbone interact. energy: -7.962 local terms energy: -877.402275 where: bonds (distance) C4'-P energy: -158.164 bonds (distance) P-C4' energy: -163.113 flat angles C4'-P-C4' energy: -182.993 flat angles P-C4'-P energy: -128.038 tors. eta vs tors. theta energy: -245.095 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: 1 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2842.079911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.079911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.079911 (E_RNA) where: Base-Base interactions energy: -2009.752 where: short stacking energy: -830.113 Base-Backbone interact. energy: -7.559 local terms energy: -824.768571 where: bonds (distance) C4'-P energy: -134.754 bonds (distance) P-C4' energy: -176.093 flat angles C4'-P-C4' energy: -169.754 flat angles P-C4'-P energy: -117.314 tors. eta vs tors. theta energy: -226.854 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: 3, replica: 5 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2804.940286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.940286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.940286 (E_RNA) where: Base-Base interactions energy: -1957.976 where: short stacking energy: -813.625 Base-Backbone interact. energy: -3.700 local terms energy: -843.264431 where: bonds (distance) C4'-P energy: -159.828 bonds (distance) P-C4' energy: -169.116 flat angles C4'-P-C4' energy: -170.364 flat angles P-C4'-P energy: -118.949 tors. eta vs tors. theta energy: -225.006 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: 4 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2585.981605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.981605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.981605 (E_RNA) where: Base-Base interactions energy: -1792.401 where: short stacking energy: -765.194 Base-Backbone interact. energy: -0.426 local terms energy: -793.154040 where: bonds (distance) C4'-P energy: -137.335 bonds (distance) P-C4' energy: -146.736 flat angles C4'-P-C4' energy: -176.553 flat angles P-C4'-P energy: -122.945 tors. eta vs tors. theta energy: -209.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -2539.909111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.909111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.909111 (E_RNA) where: Base-Base interactions energy: -1775.819 where: short stacking energy: -741.351 Base-Backbone interact. energy: -1.698 local terms energy: -762.392479 where: bonds (distance) C4'-P energy: -124.144 bonds (distance) P-C4' energy: -166.382 flat angles C4'-P-C4' energy: -158.811 flat angles P-C4'-P energy: -97.257 tors. eta vs tors. theta energy: -215.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -2409.339871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.339871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.339871 (E_RNA) where: Base-Base interactions energy: -1660.093 where: short stacking energy: -688.123 Base-Backbone interact. energy: -3.819 local terms energy: -745.428528 where: bonds (distance) C4'-P energy: -137.048 bonds (distance) P-C4' energy: -151.545 flat angles C4'-P-C4' energy: -168.631 flat angles P-C4'-P energy: -100.155 tors. eta vs tors. theta energy: -188.050 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: 6 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -2201.373309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.373309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.373309 (E_RNA) where: Base-Base interactions energy: -1516.647 where: short stacking energy: -637.367 Base-Backbone interact. energy: -2.129 local terms energy: -682.597483 where: bonds (distance) C4'-P energy: -137.813 bonds (distance) P-C4' energy: -141.292 flat angles C4'-P-C4' energy: -137.374 flat angles P-C4'-P energy: -106.569 tors. eta vs tors. theta energy: -159.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1943.760330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.760330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.760330 (E_RNA) where: Base-Base interactions energy: -1316.094 where: short stacking energy: -539.214 Base-Backbone interact. energy: 2.155 local terms energy: -629.820868 where: bonds (distance) C4'-P energy: -123.294 bonds (distance) P-C4' energy: -145.104 flat angles C4'-P-C4' energy: -142.938 flat angles P-C4'-P energy: -83.335 tors. eta vs tors. theta energy: -135.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -1384.428878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.428878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.428878 (E_RNA) where: Base-Base interactions energy: -828.966 where: short stacking energy: -369.781 Base-Backbone interact. energy: 0.186 local terms energy: -555.649130 where: bonds (distance) C4'-P energy: -125.538 bonds (distance) P-C4' energy: -151.791 flat angles C4'-P-C4' energy: -131.045 flat angles P-C4'-P energy: -78.518 tors. eta vs tors. theta energy: -68.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -820.432663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.432663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.432663 (E_RNA) where: Base-Base interactions energy: -404.578 where: short stacking energy: -224.637 Base-Backbone interact. energy: 2.876 local terms energy: -418.730512 where: bonds (distance) C4'-P energy: -141.613 bonds (distance) P-C4' energy: -119.723 flat angles C4'-P-C4' energy: -102.095 flat angles P-C4'-P energy: -70.367 tors. eta vs tors. theta energy: 15.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -3035.123079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.123079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.123079 (E_RNA) where: Base-Base interactions energy: -2165.478 where: short stacking energy: -871.150 Base-Backbone interact. energy: -3.132 local terms energy: -866.513196 where: bonds (distance) C4'-P energy: -154.590 bonds (distance) P-C4' energy: -168.931 flat angles C4'-P-C4' energy: -184.251 flat angles P-C4'-P energy: -123.667 tors. eta vs tors. theta energy: -235.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2804.434745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.434745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.434745 (E_RNA) where: Base-Base interactions energy: -2009.187 where: short stacking energy: -818.218 Base-Backbone interact. energy: -2.174 local terms energy: -793.073388 where: bonds (distance) C4'-P energy: -133.563 bonds (distance) P-C4' energy: -143.954 flat angles C4'-P-C4' energy: -185.744 flat angles P-C4'-P energy: -109.346 tors. eta vs tors. theta energy: -220.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2786.485812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.485812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.485812 (E_RNA) where: Base-Base interactions energy: -1958.134 where: short stacking energy: -799.970 Base-Backbone interact. energy: -1.899 local terms energy: -826.453106 where: bonds (distance) C4'-P energy: -146.379 bonds (distance) P-C4' energy: -162.456 flat angles C4'-P-C4' energy: -181.947 flat angles P-C4'-P energy: -124.202 tors. eta vs tors. theta energy: -211.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2582.038033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.038033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.038033 (E_RNA) where: Base-Base interactions energy: -1792.444 where: short stacking energy: -756.440 Base-Backbone interact. energy: -3.085 local terms energy: -786.508766 where: bonds (distance) C4'-P energy: -129.815 bonds (distance) P-C4' energy: -160.435 flat angles C4'-P-C4' energy: -178.154 flat angles P-C4'-P energy: -125.293 tors. eta vs tors. theta energy: -192.812 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: 5, replica: 8 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -2502.392986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.392986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.392986 (E_RNA) where: Base-Base interactions energy: -1702.063 where: short stacking energy: -736.981 Base-Backbone interact. energy: -2.862 local terms energy: -797.467580 where: bonds (distance) C4'-P energy: -143.267 bonds (distance) P-C4' energy: -154.557 flat angles C4'-P-C4' energy: -170.418 flat angles P-C4'-P energy: -115.203 tors. eta vs tors. theta energy: -214.022 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: 7 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -2372.278540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.278540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.278540 (E_RNA) where: Base-Base interactions energy: -1650.399 where: short stacking energy: -694.401 Base-Backbone interact. energy: 0.760 local terms energy: -722.640276 where: bonds (distance) C4'-P energy: -144.652 bonds (distance) P-C4' energy: -150.323 flat angles C4'-P-C4' energy: -158.264 flat angles P-C4'-P energy: -93.299 tors. eta vs tors. theta energy: -176.102 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: 7, replica: 6 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -2212.408420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.408420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.408420 (E_RNA) where: Base-Base interactions energy: -1548.069 where: short stacking energy: -618.373 Base-Backbone interact. energy: 0.378 local terms energy: -664.717807 where: bonds (distance) C4'-P energy: -141.021 bonds (distance) P-C4' energy: -125.705 flat angles C4'-P-C4' energy: -138.046 flat angles P-C4'-P energy: -107.107 tors. eta vs tors. theta energy: -152.840 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: 2 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1997.141546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.141546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.141546 (E_RNA) where: Base-Base interactions energy: -1339.628 where: short stacking energy: -573.408 Base-Backbone interact. energy: 0.718 local terms energy: -658.231369 where: bonds (distance) C4'-P energy: -114.812 bonds (distance) P-C4' energy: -155.014 flat angles C4'-P-C4' energy: -150.368 flat angles P-C4'-P energy: -101.487 tors. eta vs tors. theta energy: -136.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -1440.190344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.190344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.190344 (E_RNA) where: Base-Base interactions energy: -923.927 where: short stacking energy: -385.443 Base-Backbone interact. energy: -0.798 local terms energy: -515.464843 where: bonds (distance) C4'-P energy: -130.330 bonds (distance) P-C4' energy: -140.110 flat angles C4'-P-C4' energy: -127.872 flat angles P-C4'-P energy: -66.491 tors. eta vs tors. theta energy: -50.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -826.899777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.899777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.899777 (E_RNA) where: Base-Base interactions energy: -407.239 where: short stacking energy: -235.610 Base-Backbone interact. energy: 6.075 local terms energy: -425.735734 where: bonds (distance) C4'-P energy: -105.964 bonds (distance) P-C4' energy: -161.027 flat angles C4'-P-C4' energy: -103.273 flat angles P-C4'-P energy: -74.934 tors. eta vs tors. theta energy: 19.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -3048.442950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.442950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.442950 (E_RNA) where: Base-Base interactions energy: -2137.815 where: short stacking energy: -845.371 Base-Backbone interact. energy: -7.333 local terms energy: -903.294169 where: bonds (distance) C4'-P energy: -168.694 bonds (distance) P-C4' energy: -168.225 flat angles C4'-P-C4' energy: -198.066 flat angles P-C4'-P energy: -131.926 tors. eta vs tors. theta energy: -236.383 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: 1 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2819.766998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.766998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.766998 (E_RNA) where: Base-Base interactions energy: -1969.550 where: short stacking energy: -813.273 Base-Backbone interact. energy: -4.567 local terms energy: -845.650176 where: bonds (distance) C4'-P energy: -142.176 bonds (distance) P-C4' energy: -170.945 flat angles C4'-P-C4' energy: -178.778 flat angles P-C4'-P energy: -132.932 tors. eta vs tors. theta energy: -220.819 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: 5 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2771.027029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.027029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.027029 (E_RNA) where: Base-Base interactions energy: -1976.223 where: short stacking energy: -811.319 Base-Backbone interact. energy: -2.575 local terms energy: -792.229088 where: bonds (distance) C4'-P energy: -143.867 bonds (distance) P-C4' energy: -131.451 flat angles C4'-P-C4' energy: -172.668 flat angles P-C4'-P energy: -116.244 tors. eta vs tors. theta energy: -228.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2623.052236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.052236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.052236 (E_RNA) where: Base-Base interactions energy: -1832.649 where: short stacking energy: -762.308 Base-Backbone interact. energy: -2.876 local terms energy: -787.527381 where: bonds (distance) C4'-P energy: -135.236 bonds (distance) P-C4' energy: -150.720 flat angles C4'-P-C4' energy: -170.374 flat angles P-C4'-P energy: -116.623 tors. eta vs tors. theta energy: -214.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -2499.919656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.919656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.919656 (E_RNA) where: Base-Base interactions energy: -1731.995 where: short stacking energy: -714.856 Base-Backbone interact. energy: -1.845 local terms energy: -766.079296 where: bonds (distance) C4'-P energy: -128.023 bonds (distance) P-C4' energy: -155.890 flat angles C4'-P-C4' energy: -165.057 flat angles P-C4'-P energy: -125.151 tors. eta vs tors. theta energy: -191.959 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: 7 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -2450.447114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.447114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.447114 (E_RNA) where: Base-Base interactions energy: -1674.121 where: short stacking energy: -720.408 Base-Backbone interact. energy: -0.343 local terms energy: -775.983393 where: bonds (distance) C4'-P energy: -147.102 bonds (distance) P-C4' energy: -159.379 flat angles C4'-P-C4' energy: -166.474 flat angles P-C4'-P energy: -98.112 tors. eta vs tors. theta energy: -204.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -2256.494767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.494767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.494767 (E_RNA) where: Base-Base interactions energy: -1525.401 where: short stacking energy: -648.604 Base-Backbone interact. energy: -4.055 local terms energy: -727.038627 where: bonds (distance) C4'-P energy: -135.542 bonds (distance) P-C4' energy: -176.881 flat angles C4'-P-C4' energy: -144.944 flat angles P-C4'-P energy: -100.536 tors. eta vs tors. theta energy: -169.136 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: 8, replica: 2 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -2043.062112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.062112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.062112 (E_RNA) where: Base-Base interactions energy: -1392.855 where: short stacking energy: -596.927 Base-Backbone interact. energy: -2.441 local terms energy: -647.765902 where: bonds (distance) C4'-P energy: -126.199 bonds (distance) P-C4' energy: -144.819 flat angles C4'-P-C4' energy: -131.041 flat angles P-C4'-P energy: -87.877 tors. eta vs tors. theta energy: -157.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -1436.587158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.587158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.587158 (E_RNA) where: Base-Base interactions energy: -887.004 where: short stacking energy: -447.436 Base-Backbone interact. energy: -4.180 local terms energy: -545.403430 where: bonds (distance) C4'-P energy: -136.468 bonds (distance) P-C4' energy: -132.747 flat angles C4'-P-C4' energy: -118.215 flat angles P-C4'-P energy: -83.829 tors. eta vs tors. theta energy: -74.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -833.274374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.274374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.274374 (E_RNA) where: Base-Base interactions energy: -390.941 where: short stacking energy: -223.529 Base-Backbone interact. energy: 1.130 local terms energy: -446.554550 where: bonds (distance) C4'-P energy: -140.249 bonds (distance) P-C4' energy: -143.495 flat angles C4'-P-C4' energy: -105.218 flat angles P-C4'-P energy: -78.462 tors. eta vs tors. theta energy: 20.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 3.092 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -3074.864108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.864108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.864108 (E_RNA) where: Base-Base interactions energy: -2163.712 where: short stacking energy: -855.930 Base-Backbone interact. energy: -4.779 local terms energy: -906.372590 where: bonds (distance) C4'-P energy: -155.056 bonds (distance) P-C4' energy: -169.475 flat angles C4'-P-C4' energy: -186.305 flat angles P-C4'-P energy: -148.435 tors. eta vs tors. theta energy: -247.101 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: 1 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2857.755955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.755955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.755955 (E_RNA) where: Base-Base interactions energy: -2036.746 where: short stacking energy: -852.992 Base-Backbone interact. energy: -5.582 local terms energy: -815.427827 where: bonds (distance) C4'-P energy: -130.350 bonds (distance) P-C4' energy: -158.916 flat angles C4'-P-C4' energy: -186.434 flat angles P-C4'-P energy: -118.130 tors. eta vs tors. theta energy: -221.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2789.990909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.990909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.990909 (E_RNA) where: Base-Base interactions energy: -1912.933 where: short stacking energy: -772.139 Base-Backbone interact. energy: -2.785 local terms energy: -874.273395 where: bonds (distance) C4'-P energy: -169.659 bonds (distance) P-C4' energy: -170.740 flat angles C4'-P-C4' energy: -178.676 flat angles P-C4'-P energy: -130.038 tors. eta vs tors. theta energy: -225.160 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: 4 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2612.980417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.980417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.980417 (E_RNA) where: Base-Base interactions energy: -1807.924 where: short stacking energy: -750.763 Base-Backbone interact. energy: 0.331 local terms energy: -805.386884 where: bonds (distance) C4'-P energy: -139.630 bonds (distance) P-C4' energy: -163.022 flat angles C4'-P-C4' energy: -172.421 flat angles P-C4'-P energy: -116.498 tors. eta vs tors. theta energy: -213.817 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: 8 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -2410.721060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.721060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.721060 (E_RNA) where: Base-Base interactions energy: -1672.848 where: short stacking energy: -659.849 Base-Backbone interact. energy: -3.112 local terms energy: -734.761010 where: bonds (distance) C4'-P energy: -147.159 bonds (distance) P-C4' energy: -153.333 flat angles C4'-P-C4' energy: -153.619 flat angles P-C4'-P energy: -98.983 tors. eta vs tors. theta energy: -181.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -2361.570722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.570722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.570722 (E_RNA) where: Base-Base interactions energy: -1679.587 where: short stacking energy: -657.988 Base-Backbone interact. energy: -1.855 local terms energy: -680.128494 where: bonds (distance) C4'-P energy: -124.474 bonds (distance) P-C4' energy: -148.194 flat angles C4'-P-C4' energy: -140.965 flat angles P-C4'-P energy: -91.502 tors. eta vs tors. theta energy: -174.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -2235.613821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.613821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.613821 (E_RNA) where: Base-Base interactions energy: -1526.490 where: short stacking energy: -646.581 Base-Backbone interact. energy: -3.695 local terms energy: -705.428354 where: bonds (distance) C4'-P energy: -144.808 bonds (distance) P-C4' energy: -145.704 flat angles C4'-P-C4' energy: -160.128 flat angles P-C4'-P energy: -100.360 tors. eta vs tors. theta energy: -154.428 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: 2 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -2038.891430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.891430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.891430 (E_RNA) where: Base-Base interactions energy: -1417.138 where: short stacking energy: -596.607 Base-Backbone interact. energy: -0.638 local terms energy: -621.115309 where: bonds (distance) C4'-P energy: -108.550 bonds (distance) P-C4' energy: -120.244 flat angles C4'-P-C4' energy: -140.606 flat angles P-C4'-P energy: -99.308 tors. eta vs tors. theta energy: -152.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -1410.999858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.999858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.999858 (E_RNA) where: Base-Base interactions energy: -860.581 where: short stacking energy: -396.808 Base-Backbone interact. energy: -1.123 local terms energy: -549.295772 where: bonds (distance) C4'-P energy: -128.581 bonds (distance) P-C4' energy: -131.189 flat angles C4'-P-C4' energy: -132.486 flat angles P-C4'-P energy: -95.741 tors. eta vs tors. theta energy: -61.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -840.285910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.285910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.285910 (E_RNA) where: Base-Base interactions energy: -395.739 where: short stacking energy: -227.176 Base-Backbone interact. energy: 0.547 local terms energy: -445.093341 where: bonds (distance) C4'-P energy: -124.719 bonds (distance) P-C4' energy: -142.912 flat angles C4'-P-C4' energy: -120.286 flat angles P-C4'-P energy: -70.541 tors. eta vs tors. theta energy: 13.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -3049.446918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.446918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.446918 (E_RNA) where: Base-Base interactions energy: -2163.274 where: short stacking energy: -841.474 Base-Backbone interact. energy: 3.880 local terms energy: -890.052297 where: bonds (distance) C4'-P energy: -166.222 bonds (distance) P-C4' energy: -172.260 flat angles C4'-P-C4' energy: -187.262 flat angles P-C4'-P energy: -128.607 tors. eta vs tors. theta energy: -235.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2830.379810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.379810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.379810 (E_RNA) where: Base-Base interactions energy: -1944.991 where: short stacking energy: -792.888 Base-Backbone interact. energy: -1.526 local terms energy: -883.862503 where: bonds (distance) C4'-P energy: -159.315 bonds (distance) P-C4' energy: -186.359 flat angles C4'-P-C4' energy: -177.663 flat angles P-C4'-P energy: -120.523 tors. eta vs tors. theta energy: -240.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2782.170142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.170142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.170142 (E_RNA) where: Base-Base interactions energy: -1905.495 where: short stacking energy: -793.228 Base-Backbone interact. energy: -2.685 local terms energy: -873.990060 where: bonds (distance) C4'-P energy: -162.667 bonds (distance) P-C4' energy: -172.300 flat angles C4'-P-C4' energy: -187.611 flat angles P-C4'-P energy: -127.739 tors. eta vs tors. theta energy: -223.673 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: 4 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2627.462213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.462213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.462213 (E_RNA) where: Base-Base interactions energy: -1831.597 where: short stacking energy: -786.258 Base-Backbone interact. energy: -3.121 local terms energy: -792.744817 where: bonds (distance) C4'-P energy: -141.264 bonds (distance) P-C4' energy: -145.184 flat angles C4'-P-C4' energy: -169.046 flat angles P-C4'-P energy: -118.672 tors. eta vs tors. theta energy: -218.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -2516.319346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.319346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.319346 (E_RNA) where: Base-Base interactions energy: -1750.837 where: short stacking energy: -734.332 Base-Backbone interact. energy: 3.904 local terms energy: -769.386690 where: bonds (distance) C4'-P energy: -144.847 bonds (distance) P-C4' energy: -154.084 flat angles C4'-P-C4' energy: -160.329 flat angles P-C4'-P energy: -115.434 tors. eta vs tors. theta energy: -194.693 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: 7 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -2399.491924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.491924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.491924 (E_RNA) where: Base-Base interactions energy: -1655.461 where: short stacking energy: -692.572 Base-Backbone interact. energy: -3.195 local terms energy: -740.836244 where: bonds (distance) C4'-P energy: -141.879 bonds (distance) P-C4' energy: -165.050 flat angles C4'-P-C4' energy: -148.401 flat angles P-C4'-P energy: -101.292 tors. eta vs tors. theta energy: -184.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -2144.803700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.803700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.803700 (E_RNA) where: Base-Base interactions energy: -1452.622 where: short stacking energy: -594.866 Base-Backbone interact. energy: -4.316 local terms energy: -687.865831 where: bonds (distance) C4'-P energy: -151.713 bonds (distance) P-C4' energy: -130.693 flat angles C4'-P-C4' energy: -150.173 flat angles P-C4'-P energy: -111.205 tors. eta vs tors. theta energy: -144.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -2025.048172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.048172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.048172 (E_RNA) where: Base-Base interactions energy: -1378.758 where: short stacking energy: -581.587 Base-Backbone interact. energy: -0.567 local terms energy: -645.723463 where: bonds (distance) C4'-P energy: -146.823 bonds (distance) P-C4' energy: -132.333 flat angles C4'-P-C4' energy: -127.484 flat angles P-C4'-P energy: -93.614 tors. eta vs tors. theta energy: -145.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -1327.673973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.673973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.673973 (E_RNA) where: Base-Base interactions energy: -793.821 where: short stacking energy: -349.950 Base-Backbone interact. energy: -0.401 local terms energy: -533.451998 where: bonds (distance) C4'-P energy: -135.299 bonds (distance) P-C4' energy: -142.245 flat angles C4'-P-C4' energy: -134.683 flat angles P-C4'-P energy: -84.333 tors. eta vs tors. theta energy: -36.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -798.448745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.448745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.448745 (E_RNA) where: Base-Base interactions energy: -371.946 where: short stacking energy: -232.269 Base-Backbone interact. energy: 0.841 local terms energy: -427.344293 where: bonds (distance) C4'-P energy: -118.685 bonds (distance) P-C4' energy: -144.486 flat angles C4'-P-C4' energy: -121.123 flat angles P-C4'-P energy: -59.516 tors. eta vs tors. theta energy: 16.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -3059.914980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.914980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.914980 (E_RNA) where: Base-Base interactions energy: -2180.245 where: short stacking energy: -881.098 Base-Backbone interact. energy: -6.185 local terms energy: -873.484478 where: bonds (distance) C4'-P energy: -157.560 bonds (distance) P-C4' energy: -160.007 flat angles C4'-P-C4' energy: -194.844 flat angles P-C4'-P energy: -119.620 tors. eta vs tors. theta energy: -241.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2859.693202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.693202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.693202 (E_RNA) where: Base-Base interactions energy: -1982.977 where: short stacking energy: -815.395 Base-Backbone interact. energy: -0.609 local terms energy: -876.106916 where: bonds (distance) C4'-P energy: -163.979 bonds (distance) P-C4' energy: -174.108 flat angles C4'-P-C4' energy: -192.651 flat angles P-C4'-P energy: -128.381 tors. eta vs tors. theta energy: -216.988 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: 5 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2759.757951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.757951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.757951 (E_RNA) where: Base-Base interactions energy: -1938.134 where: short stacking energy: -799.544 Base-Backbone interact. energy: -3.227 local terms energy: -818.396592 where: bonds (distance) C4'-P energy: -138.419 bonds (distance) P-C4' energy: -148.441 flat angles C4'-P-C4' energy: -181.631 flat angles P-C4'-P energy: -129.045 tors. eta vs tors. theta energy: -220.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2613.726138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.726138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.726138 (E_RNA) where: Base-Base interactions energy: -1799.058 where: short stacking energy: -752.403 Base-Backbone interact. energy: -3.706 local terms energy: -810.962423 where: bonds (distance) C4'-P energy: -150.581 bonds (distance) P-C4' energy: -164.814 flat angles C4'-P-C4' energy: -168.560 flat angles P-C4'-P energy: -108.975 tors. eta vs tors. theta energy: -218.033 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: 8 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -2465.391520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.391520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.391520 (E_RNA) where: Base-Base interactions energy: -1697.133 where: short stacking energy: -703.162 Base-Backbone interact. energy: -2.203 local terms energy: -766.054793 where: bonds (distance) C4'-P energy: -138.790 bonds (distance) P-C4' energy: -155.615 flat angles C4'-P-C4' energy: -172.880 flat angles P-C4'-P energy: -97.854 tors. eta vs tors. theta energy: -200.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -2411.618798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.618798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.618798 (E_RNA) where: Base-Base interactions energy: -1665.983 where: short stacking energy: -713.757 Base-Backbone interact. energy: -4.778 local terms energy: -740.858379 where: bonds (distance) C4'-P energy: -132.680 bonds (distance) P-C4' energy: -142.151 flat angles C4'-P-C4' energy: -163.330 flat angles P-C4'-P energy: -110.197 tors. eta vs tors. theta energy: -192.501 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: 6 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -2149.700355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.700355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.700355 (E_RNA) where: Base-Base interactions energy: -1470.000 where: short stacking energy: -618.330 Base-Backbone interact. energy: 3.239 local terms energy: -682.939304 where: bonds (distance) C4'-P energy: -120.059 bonds (distance) P-C4' energy: -150.985 flat angles C4'-P-C4' energy: -140.183 flat angles P-C4'-P energy: -113.868 tors. eta vs tors. theta energy: -157.844 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: 93 Temperature: 1.250000 Total energy: -2007.354277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.354277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.354277 (E_RNA) where: Base-Base interactions energy: -1380.232 where: short stacking energy: -592.155 Base-Backbone interact. energy: 1.947 local terms energy: -629.068855 where: bonds (distance) C4'-P energy: -118.151 bonds (distance) P-C4' energy: -140.975 flat angles C4'-P-C4' energy: -144.956 flat angles P-C4'-P energy: -81.700 tors. eta vs tors. theta energy: -143.288 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: 93 Temperature: 1.300000 Total energy: -1275.605023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.605023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.605023 (E_RNA) where: Base-Base interactions energy: -790.321 where: short stacking energy: -371.418 Base-Backbone interact. energy: 1.071 local terms energy: -486.354720 where: bonds (distance) C4'-P energy: -100.553 bonds (distance) P-C4' energy: -149.472 flat angles C4'-P-C4' energy: -123.176 flat angles P-C4'-P energy: -74.887 tors. eta vs tors. theta energy: -38.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -878.885196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.885196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.885196 (E_RNA) where: Base-Base interactions energy: -449.740 where: short stacking energy: -254.433 Base-Backbone interact. energy: 0.711 local terms energy: -429.855935 where: bonds (distance) C4'-P energy: -115.462 bonds (distance) P-C4' energy: -139.951 flat angles C4'-P-C4' energy: -101.933 flat angles P-C4'-P energy: -76.562 tors. eta vs tors. theta energy: 4.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -3063.704843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.704843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.704843 (E_RNA) where: Base-Base interactions energy: -2169.054 where: short stacking energy: -865.507 Base-Backbone interact. energy: -6.242 local terms energy: -888.408566 where: bonds (distance) C4'-P energy: -153.180 bonds (distance) P-C4' energy: -169.011 flat angles C4'-P-C4' energy: -183.933 flat angles P-C4'-P energy: -137.109 tors. eta vs tors. theta energy: -245.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2827.958224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.958224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.958224 (E_RNA) where: Base-Base interactions energy: -2002.319 where: short stacking energy: -835.552 Base-Backbone interact. energy: -0.440 local terms energy: -825.199057 where: bonds (distance) C4'-P energy: -147.292 bonds (distance) P-C4' energy: -155.912 flat angles C4'-P-C4' energy: -183.226 flat angles P-C4'-P energy: -102.008 tors. eta vs tors. theta energy: -236.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2768.682321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.682321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.682321 (E_RNA) where: Base-Base interactions energy: -1928.367 where: short stacking energy: -810.867 Base-Backbone interact. energy: -3.623 local terms energy: -836.691756 where: bonds (distance) C4'-P energy: -154.932 bonds (distance) P-C4' energy: -152.565 flat angles C4'-P-C4' energy: -173.925 flat angles P-C4'-P energy: -126.253 tors. eta vs tors. theta energy: -229.016 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: 4, replica: 4 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2631.775516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.775516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.775516 (E_RNA) where: Base-Base interactions energy: -1829.909 where: short stacking energy: -769.842 Base-Backbone interact. energy: -0.286 local terms energy: -801.581288 where: bonds (distance) C4'-P energy: -139.641 bonds (distance) P-C4' energy: -161.394 flat angles C4'-P-C4' energy: -173.938 flat angles P-C4'-P energy: -103.030 tors. eta vs tors. theta energy: -223.578 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: 5, replica: 7 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -2443.848296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.848296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.848296 (E_RNA) where: Base-Base interactions energy: -1685.737 where: short stacking energy: -702.347 Base-Backbone interact. energy: -1.736 local terms energy: -756.374825 where: bonds (distance) C4'-P energy: -139.366 bonds (distance) P-C4' energy: -151.941 flat angles C4'-P-C4' energy: -170.215 flat angles P-C4'-P energy: -116.196 tors. eta vs tors. theta energy: -178.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -2436.263634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.263634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.263634 (E_RNA) where: Base-Base interactions energy: -1684.161 where: short stacking energy: -723.589 Base-Backbone interact. energy: -1.520 local terms energy: -750.582709 where: bonds (distance) C4'-P energy: -124.078 bonds (distance) P-C4' energy: -132.660 flat angles C4'-P-C4' energy: -164.514 flat angles P-C4'-P energy: -119.864 tors. eta vs tors. theta energy: -209.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -2181.895526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.895526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.895526 (E_RNA) where: Base-Base interactions energy: -1477.026 where: short stacking energy: -613.769 Base-Backbone interact. energy: -2.248 local terms energy: -702.621888 where: bonds (distance) C4'-P energy: -147.655 bonds (distance) P-C4' energy: -152.637 flat angles C4'-P-C4' energy: -158.518 flat angles P-C4'-P energy: -85.160 tors. eta vs tors. theta energy: -158.652 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: 94 Temperature: 1.250000 Total energy: -1959.420955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.420955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.420955 (E_RNA) where: Base-Base interactions energy: -1308.890 where: short stacking energy: -573.013 Base-Backbone interact. energy: -4.618 local terms energy: -645.912337 where: bonds (distance) C4'-P energy: -123.418 bonds (distance) P-C4' energy: -143.598 flat angles C4'-P-C4' energy: -151.986 flat angles P-C4'-P energy: -79.984 tors. eta vs tors. theta energy: -146.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -1332.693531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.693531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.693531 (E_RNA) where: Base-Base interactions energy: -799.346 where: short stacking energy: -383.701 Base-Backbone interact. energy: -2.331 local terms energy: -531.016684 where: bonds (distance) C4'-P energy: -111.850 bonds (distance) P-C4' energy: -149.261 flat angles C4'-P-C4' energy: -125.660 flat angles P-C4'-P energy: -84.759 tors. eta vs tors. theta energy: -59.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -924.896971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.896971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.896971 (E_RNA) where: Base-Base interactions energy: -513.295 where: short stacking energy: -270.521 Base-Backbone interact. energy: 2.068 local terms energy: -413.670443 where: bonds (distance) C4'-P energy: -128.634 bonds (distance) P-C4' energy: -141.668 flat angles C4'-P-C4' energy: -97.835 flat angles P-C4'-P energy: -46.023 tors. eta vs tors. theta energy: 0.490 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: 3 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -3083.636111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.636111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.636111 (E_RNA) where: Base-Base interactions energy: -2188.168 where: short stacking energy: -874.392 Base-Backbone interact. energy: -5.089 local terms energy: -890.378662 where: bonds (distance) C4'-P energy: -157.603 bonds (distance) P-C4' energy: -165.038 flat angles C4'-P-C4' energy: -187.951 flat angles P-C4'-P energy: -135.061 tors. eta vs tors. theta energy: -244.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2829.953043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.953043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.953043 (E_RNA) where: Base-Base interactions energy: -1961.299 where: short stacking energy: -806.569 Base-Backbone interact. energy: -4.825 local terms energy: -863.828403 where: bonds (distance) C4'-P energy: -151.078 bonds (distance) P-C4' energy: -170.547 flat angles C4'-P-C4' energy: -194.110 flat angles P-C4'-P energy: -127.260 tors. eta vs tors. theta energy: -220.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2768.078387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.078387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.078387 (E_RNA) where: Base-Base interactions energy: -1906.760 where: short stacking energy: -782.541 Base-Backbone interact. energy: -3.273 local terms energy: -858.045707 where: bonds (distance) C4'-P energy: -148.036 bonds (distance) P-C4' energy: -173.098 flat angles C4'-P-C4' energy: -184.487 flat angles P-C4'-P energy: -134.727 tors. eta vs tors. theta energy: -217.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2599.859824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.859824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.859824 (E_RNA) where: Base-Base interactions energy: -1806.337 where: short stacking energy: -758.976 Base-Backbone interact. energy: -4.442 local terms energy: -789.080655 where: bonds (distance) C4'-P energy: -129.402 bonds (distance) P-C4' energy: -169.457 flat angles C4'-P-C4' energy: -168.559 flat angles P-C4'-P energy: -111.236 tors. eta vs tors. theta energy: -210.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -2495.163917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.163917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.163917 (E_RNA) where: Base-Base interactions energy: -1707.264 where: short stacking energy: -713.870 Base-Backbone interact. energy: -0.778 local terms energy: -787.121695 where: bonds (distance) C4'-P energy: -146.852 bonds (distance) P-C4' energy: -168.303 flat angles C4'-P-C4' energy: -162.045 flat angles P-C4'-P energy: -113.001 tors. eta vs tors. theta energy: -196.921 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: 6, replica: 8 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -2329.886098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.886098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.886098 (E_RNA) where: Base-Base interactions energy: -1605.017 where: short stacking energy: -664.100 Base-Backbone interact. energy: -4.854 local terms energy: -720.015439 where: bonds (distance) C4'-P energy: -128.534 bonds (distance) P-C4' energy: -145.168 flat angles C4'-P-C4' energy: -169.795 flat angles P-C4'-P energy: -103.582 tors. eta vs tors. theta energy: -172.936 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: 6 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -2160.317549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.317549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.317549 (E_RNA) where: Base-Base interactions energy: -1467.256 where: short stacking energy: -624.060 Base-Backbone interact. energy: -3.329 local terms energy: -689.732414 where: bonds (distance) C4'-P energy: -135.995 bonds (distance) P-C4' energy: -148.218 flat angles C4'-P-C4' energy: -150.037 flat angles P-C4'-P energy: -91.417 tors. eta vs tors. theta energy: -164.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -2035.783628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.783628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.783628 (E_RNA) where: Base-Base interactions energy: -1361.946 where: short stacking energy: -586.864 Base-Backbone interact. energy: 2.086 local terms energy: -675.923935 where: bonds (distance) C4'-P energy: -147.497 bonds (distance) P-C4' energy: -141.064 flat angles C4'-P-C4' energy: -160.229 flat angles P-C4'-P energy: -95.223 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: 9, replica: 9 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -1323.116536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.116536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.116536 (E_RNA) where: Base-Base interactions energy: -775.073 where: short stacking energy: -374.811 Base-Backbone interact. energy: -0.277 local terms energy: -547.766692 where: bonds (distance) C4'-P energy: -150.308 bonds (distance) P-C4' energy: -141.504 flat angles C4'-P-C4' energy: -139.922 flat angles P-C4'-P energy: -81.615 tors. eta vs tors. theta energy: -34.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -934.559900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.559900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.559900 (E_RNA) where: Base-Base interactions energy: -510.775 where: short stacking energy: -264.758 Base-Backbone interact. energy: -2.526 local terms energy: -421.258550 where: bonds (distance) C4'-P energy: -142.133 bonds (distance) P-C4' energy: -130.349 flat angles C4'-P-C4' energy: -87.324 flat angles P-C4'-P energy: -65.890 tors. eta vs tors. theta energy: 4.438 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: 3 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -3046.623042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.623042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.623042 (E_RNA) where: Base-Base interactions energy: -2147.578 where: short stacking energy: -849.091 Base-Backbone interact. energy: -2.181 local terms energy: -896.864857 where: bonds (distance) C4'-P energy: -163.871 bonds (distance) P-C4' energy: -170.844 flat angles C4'-P-C4' energy: -189.501 flat angles P-C4'-P energy: -132.328 tors. eta vs tors. theta energy: -240.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2855.906487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.906487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.906487 (E_RNA) where: Base-Base interactions energy: -1991.962 where: short stacking energy: -814.079 Base-Backbone interact. energy: -5.173 local terms energy: -858.771835 where: bonds (distance) C4'-P energy: -166.031 bonds (distance) P-C4' energy: -175.046 flat angles C4'-P-C4' energy: -170.794 flat angles P-C4'-P energy: -126.028 tors. eta vs tors. theta energy: -220.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2769.475262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.475262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.475262 (E_RNA) where: Base-Base interactions energy: -1942.289 where: short stacking energy: -793.651 Base-Backbone interact. energy: -3.529 local terms energy: -823.657698 where: bonds (distance) C4'-P energy: -139.429 bonds (distance) P-C4' energy: -167.778 flat angles C4'-P-C4' energy: -177.215 flat angles P-C4'-P energy: -124.621 tors. eta vs tors. theta energy: -214.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2650.097576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.097576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.097576 (E_RNA) where: Base-Base interactions energy: -1822.223 where: short stacking energy: -766.166 Base-Backbone interact. energy: -1.462 local terms energy: -826.412418 where: bonds (distance) C4'-P energy: -158.317 bonds (distance) P-C4' energy: -167.963 flat angles C4'-P-C4' energy: -176.040 flat angles P-C4'-P energy: -108.715 tors. eta vs tors. theta energy: -215.378 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: 7 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -2479.977338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.977338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.977338 (E_RNA) where: Base-Base interactions energy: -1695.740 where: short stacking energy: -709.506 Base-Backbone interact. energy: -3.513 local terms energy: -780.723970 where: bonds (distance) C4'-P energy: -143.420 bonds (distance) P-C4' energy: -158.854 flat angles C4'-P-C4' energy: -169.961 flat angles P-C4'-P energy: -121.801 tors. eta vs tors. theta energy: -186.689 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: 6, replica: 8 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -2361.774313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.774313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.774313 (E_RNA) where: Base-Base interactions energy: -1628.974 where: short stacking energy: -657.880 Base-Backbone interact. energy: 0.848 local terms energy: -733.647926 where: bonds (distance) C4'-P energy: -133.794 bonds (distance) P-C4' energy: -141.450 flat angles C4'-P-C4' energy: -162.519 flat angles P-C4'-P energy: -125.092 tors. eta vs tors. theta energy: -170.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -2144.592723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.592723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.592723 (E_RNA) where: Base-Base interactions energy: -1461.325 where: short stacking energy: -624.141 Base-Backbone interact. energy: 0.733 local terms energy: -684.000345 where: bonds (distance) C4'-P energy: -129.277 bonds (distance) P-C4' energy: -149.892 flat angles C4'-P-C4' energy: -151.492 flat angles P-C4'-P energy: -97.056 tors. eta vs tors. theta energy: -156.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1993.219679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.219679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.219679 (E_RNA) where: Base-Base interactions energy: -1334.328 where: short stacking energy: -583.526 Base-Backbone interact. energy: -2.526 local terms energy: -656.365777 where: bonds (distance) C4'-P energy: -130.749 bonds (distance) P-C4' energy: -146.049 flat angles C4'-P-C4' energy: -136.648 flat angles P-C4'-P energy: -94.833 tors. eta vs tors. theta energy: -148.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -1337.977587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.977587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.977587 (E_RNA) where: Base-Base interactions energy: -785.708 where: short stacking energy: -352.389 Base-Backbone interact. energy: 0.943 local terms energy: -553.212371 where: bonds (distance) C4'-P energy: -140.119 bonds (distance) P-C4' energy: -145.334 flat angles C4'-P-C4' energy: -122.425 flat angles P-C4'-P energy: -91.988 tors. eta vs tors. theta energy: -53.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -966.817401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.817401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.817401 (E_RNA) where: Base-Base interactions energy: -500.443 where: short stacking energy: -284.757 Base-Backbone interact. energy: 4.745 local terms energy: -471.119249 where: bonds (distance) C4'-P energy: -130.508 bonds (distance) P-C4' energy: -132.623 flat angles C4'-P-C4' energy: -116.763 flat angles P-C4'-P energy: -80.456 tors. eta vs tors. theta energy: -10.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -3069.987400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.987400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.987400 (E_RNA) where: Base-Base interactions energy: -2162.289 where: short stacking energy: -866.279 Base-Backbone interact. energy: -5.088 local terms energy: -902.610151 where: bonds (distance) C4'-P energy: -170.171 bonds (distance) P-C4' energy: -166.589 flat angles C4'-P-C4' energy: -189.418 flat angles P-C4'-P energy: -136.004 tors. eta vs tors. theta energy: -240.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2804.119888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.119888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.119888 (E_RNA) where: Base-Base interactions energy: -1959.710 where: short stacking energy: -814.455 Base-Backbone interact. energy: 1.507 local terms energy: -845.917528 where: bonds (distance) C4'-P energy: -158.642 bonds (distance) P-C4' energy: -163.047 flat angles C4'-P-C4' energy: -188.590 flat angles P-C4'-P energy: -111.049 tors. eta vs tors. theta energy: -224.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2769.598621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.598621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.598621 (E_RNA) where: Base-Base interactions energy: -1944.114 where: short stacking energy: -802.678 Base-Backbone interact. energy: -5.326 local terms energy: -820.159076 where: bonds (distance) C4'-P energy: -157.766 bonds (distance) P-C4' energy: -170.895 flat angles C4'-P-C4' energy: -165.411 flat angles P-C4'-P energy: -113.454 tors. eta vs tors. theta energy: -212.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2590.949504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.949504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.949504 (E_RNA) where: Base-Base interactions energy: -1791.124 where: short stacking energy: -744.575 Base-Backbone interact. energy: -1.614 local terms energy: -798.211448 where: bonds (distance) C4'-P energy: -154.700 bonds (distance) P-C4' energy: -158.863 flat angles C4'-P-C4' energy: -169.851 flat angles P-C4'-P energy: -109.802 tors. eta vs tors. theta energy: -204.995 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: 5, replica: 7 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -2497.386349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.386349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.386349 (E_RNA) where: Base-Base interactions energy: -1707.147 where: short stacking energy: -728.229 Base-Backbone interact. energy: -1.797 local terms energy: -788.442205 where: bonds (distance) C4'-P energy: -127.048 bonds (distance) P-C4' energy: -166.953 flat angles C4'-P-C4' energy: -171.160 flat angles P-C4'-P energy: -104.852 tors. eta vs tors. theta energy: -218.430 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: 8 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -2384.782501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.782501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.782501 (E_RNA) where: Base-Base interactions energy: -1653.195 where: short stacking energy: -711.111 Base-Backbone interact. energy: -2.867 local terms energy: -728.720475 where: bonds (distance) C4'-P energy: -134.003 bonds (distance) P-C4' energy: -125.235 flat angles C4'-P-C4' energy: -164.985 flat angles P-C4'-P energy: -125.385 tors. eta vs tors. theta energy: -179.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -2194.570816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.570816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.570816 (E_RNA) where: Base-Base interactions energy: -1491.751 where: short stacking energy: -614.627 Base-Backbone interact. energy: -0.721 local terms energy: -702.098386 where: bonds (distance) C4'-P energy: -152.960 bonds (distance) P-C4' energy: -145.258 flat angles C4'-P-C4' energy: -150.894 flat angles P-C4'-P energy: -96.578 tors. eta vs tors. theta energy: -156.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1957.679042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.679042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.679042 (E_RNA) where: Base-Base interactions energy: -1334.993 where: short stacking energy: -550.838 Base-Backbone interact. energy: -2.202 local terms energy: -620.483646 where: bonds (distance) C4'-P energy: -131.974 bonds (distance) P-C4' energy: -133.541 flat angles C4'-P-C4' energy: -139.974 flat angles P-C4'-P energy: -92.876 tors. eta vs tors. theta energy: -122.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -1358.086104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.086104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.086104 (E_RNA) where: Base-Base interactions energy: -821.636 where: short stacking energy: -392.016 Base-Backbone interact. energy: 9.332 local terms energy: -545.782142 where: bonds (distance) C4'-P energy: -131.786 bonds (distance) P-C4' energy: -134.836 flat angles C4'-P-C4' energy: -148.938 flat angles P-C4'-P energy: -74.223 tors. eta vs tors. theta energy: -56.000 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: 10 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -923.268243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.268243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.268243 (E_RNA) where: Base-Base interactions energy: -487.292 where: short stacking energy: -284.252 Base-Backbone interact. energy: -1.904 local terms energy: -434.072387 where: bonds (distance) C4'-P energy: -125.821 bonds (distance) P-C4' energy: -152.714 flat angles C4'-P-C4' energy: -113.897 flat angles P-C4'-P energy: -41.395 tors. eta vs tors. theta energy: -0.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -3064.474846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.474846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.474846 (E_RNA) where: Base-Base interactions energy: -2180.703 where: short stacking energy: -866.595 Base-Backbone interact. energy: -1.894 local terms energy: -881.878409 where: bonds (distance) C4'-P energy: -152.895 bonds (distance) P-C4' energy: -168.078 flat angles C4'-P-C4' energy: -177.502 flat angles P-C4'-P energy: -140.239 tors. eta vs tors. theta energy: -243.164 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: 1 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2781.345227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.345227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.345227 (E_RNA) where: Base-Base interactions energy: -1922.742 where: short stacking energy: -813.425 Base-Backbone interact. energy: -3.918 local terms energy: -854.684612 where: bonds (distance) C4'-P energy: -154.798 bonds (distance) P-C4' energy: -153.717 flat angles C4'-P-C4' energy: -190.978 flat angles P-C4'-P energy: -119.892 tors. eta vs tors. theta energy: -235.300 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: 5 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2739.090172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.090172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.090172 (E_RNA) where: Base-Base interactions energy: -1889.447 where: short stacking energy: -780.858 Base-Backbone interact. energy: -2.682 local terms energy: -846.961435 where: bonds (distance) C4'-P energy: -158.297 bonds (distance) P-C4' energy: -169.272 flat angles C4'-P-C4' energy: -179.107 flat angles P-C4'-P energy: -120.962 tors. eta vs tors. theta energy: -219.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2616.290249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.290249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.290249 (E_RNA) where: Base-Base interactions energy: -1804.749 where: short stacking energy: -762.112 Base-Backbone interact. energy: -1.080 local terms energy: -810.460526 where: bonds (distance) C4'-P energy: -144.481 bonds (distance) P-C4' energy: -160.041 flat angles C4'-P-C4' energy: -163.030 flat angles P-C4'-P energy: -119.663 tors. eta vs tors. theta energy: -223.246 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: 7 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -2474.874759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.874759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.874759 (E_RNA) where: Base-Base interactions energy: -1694.693 where: short stacking energy: -712.757 Base-Backbone interact. energy: -6.055 local terms energy: -774.126932 where: bonds (distance) C4'-P energy: -121.180 bonds (distance) P-C4' energy: -154.503 flat angles C4'-P-C4' energy: -179.868 flat angles P-C4'-P energy: -118.438 tors. eta vs tors. theta energy: -200.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -2460.826475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.826475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.826475 (E_RNA) where: Base-Base interactions energy: -1676.996 where: short stacking energy: -700.101 Base-Backbone interact. energy: -2.157 local terms energy: -781.673543 where: bonds (distance) C4'-P energy: -155.736 bonds (distance) P-C4' energy: -150.935 flat angles C4'-P-C4' energy: -159.105 flat angles P-C4'-P energy: -124.510 tors. eta vs tors. theta energy: -191.386 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: 98 Temperature: 1.200000 Total energy: -2187.737715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.737715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.737715 (E_RNA) where: Base-Base interactions energy: -1519.524 where: short stacking energy: -643.617 Base-Backbone interact. energy: -0.438 local terms energy: -667.775430 where: bonds (distance) C4'-P energy: -134.552 bonds (distance) P-C4' energy: -136.435 flat angles C4'-P-C4' energy: -148.978 flat angles P-C4'-P energy: -86.612 tors. eta vs tors. theta energy: -161.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1914.392216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.392216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.392216 (E_RNA) where: Base-Base interactions energy: -1258.450 where: short stacking energy: -523.903 Base-Backbone interact. energy: 0.035 local terms energy: -655.977342 where: bonds (distance) C4'-P energy: -134.715 bonds (distance) P-C4' energy: -153.189 flat angles C4'-P-C4' energy: -136.908 flat angles P-C4'-P energy: -104.410 tors. eta vs tors. theta energy: -126.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -1341.074588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.074588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.074588 (E_RNA) where: Base-Base interactions energy: -780.485 where: short stacking energy: -371.740 Base-Backbone interact. energy: 2.094 local terms energy: -562.683362 where: bonds (distance) C4'-P energy: -145.599 bonds (distance) P-C4' energy: -149.750 flat angles C4'-P-C4' energy: -136.221 flat angles P-C4'-P energy: -75.518 tors. eta vs tors. theta energy: -55.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -1015.811871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.811871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.811871 (E_RNA) where: Base-Base interactions energy: -520.556 where: short stacking energy: -286.084 Base-Backbone interact. energy: -1.590 local terms energy: -493.665720 where: bonds (distance) C4'-P energy: -131.326 bonds (distance) P-C4' energy: -141.933 flat angles C4'-P-C4' energy: -128.926 flat angles P-C4'-P energy: -66.165 tors. eta vs tors. theta energy: -25.315 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: 99 Temperature: 0.900000 Total energy: -3063.913221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.913221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.913221 (E_RNA) where: Base-Base interactions energy: -2175.928 where: short stacking energy: -870.432 Base-Backbone interact. energy: -3.707 local terms energy: -884.278957 where: bonds (distance) C4'-P energy: -163.955 bonds (distance) P-C4' energy: -171.678 flat angles C4'-P-C4' energy: -186.715 flat angles P-C4'-P energy: -130.255 tors. eta vs tors. theta energy: -231.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2823.650245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.650245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.650245 (E_RNA) where: Base-Base interactions energy: -1954.809 where: short stacking energy: -798.473 Base-Backbone interact. energy: -4.281 local terms energy: -864.560704 where: bonds (distance) C4'-P energy: -167.866 bonds (distance) P-C4' energy: -160.155 flat angles C4'-P-C4' energy: -172.952 flat angles P-C4'-P energy: -137.691 tors. eta vs tors. theta energy: -225.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2795.415123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.415123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.415123 (E_RNA) where: Base-Base interactions energy: -1969.714 where: short stacking energy: -790.747 Base-Backbone interact. energy: -4.872 local terms energy: -820.828967 where: bonds (distance) C4'-P energy: -151.031 bonds (distance) P-C4' energy: -161.723 flat angles C4'-P-C4' energy: -171.662 flat angles P-C4'-P energy: -120.207 tors. eta vs tors. theta energy: -216.205 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: 4 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2604.957526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.957526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.957526 (E_RNA) where: Base-Base interactions energy: -1806.132 where: short stacking energy: -771.339 Base-Backbone interact. energy: -5.035 local terms energy: -793.790414 where: bonds (distance) C4'-P energy: -155.558 bonds (distance) P-C4' energy: -151.002 flat angles C4'-P-C4' energy: -181.032 flat angles P-C4'-P energy: -101.530 tors. eta vs tors. theta energy: -204.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -2490.755548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.755548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.755548 (E_RNA) where: Base-Base interactions energy: -1702.960 where: short stacking energy: -726.775 Base-Backbone interact. energy: -3.722 local terms energy: -784.073790 where: bonds (distance) C4'-P energy: -145.003 bonds (distance) P-C4' energy: -151.811 flat angles C4'-P-C4' energy: -166.273 flat angles P-C4'-P energy: -116.006 tors. eta vs tors. theta energy: -204.982 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: 8 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -2377.166005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.166005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.166005 (E_RNA) where: Base-Base interactions energy: -1665.146 where: short stacking energy: -680.623 Base-Backbone interact. energy: -2.113 local terms energy: -709.906791 where: bonds (distance) C4'-P energy: -136.890 bonds (distance) P-C4' energy: -131.105 flat angles C4'-P-C4' energy: -163.923 flat angles P-C4'-P energy: -99.835 tors. eta vs tors. theta energy: -178.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -2177.657142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.657142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.657142 (E_RNA) where: Base-Base interactions energy: -1482.887 where: short stacking energy: -620.052 Base-Backbone interact. energy: -2.362 local terms energy: -692.407894 where: bonds (distance) C4'-P energy: -132.071 bonds (distance) P-C4' energy: -148.062 flat angles C4'-P-C4' energy: -167.248 flat angles P-C4'-P energy: -93.692 tors. eta vs tors. theta energy: -151.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1937.703548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.703548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.703548 (E_RNA) where: Base-Base interactions energy: -1254.644 where: short stacking energy: -573.860 Base-Backbone interact. energy: -3.576 local terms energy: -679.483688 where: bonds (distance) C4'-P energy: -131.752 bonds (distance) P-C4' energy: -156.167 flat angles C4'-P-C4' energy: -148.082 flat angles P-C4'-P energy: -102.551 tors. eta vs tors. theta energy: -140.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -1394.416291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.416291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.416291 (E_RNA) where: Base-Base interactions energy: -877.442 where: short stacking energy: -400.523 Base-Backbone interact. energy: 0.438 local terms energy: -517.412478 where: bonds (distance) C4'-P energy: -111.241 bonds (distance) P-C4' energy: -144.841 flat angles C4'-P-C4' energy: -138.921 flat angles P-C4'-P energy: -68.677 tors. eta vs tors. theta energy: -53.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -994.347219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.347219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.347219 (E_RNA) where: Base-Base interactions energy: -529.670 where: short stacking energy: -303.455 Base-Backbone interact. energy: 4.634 local terms energy: -469.311372 where: bonds (distance) C4'-P energy: -125.690 bonds (distance) P-C4' energy: -149.313 flat angles C4'-P-C4' energy: -117.411 flat angles P-C4'-P energy: -68.124 tors. eta vs tors. theta energy: -8.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -3033.732701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.732701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.732701 (E_RNA) where: Base-Base interactions energy: -2142.329 where: short stacking energy: -854.475 Base-Backbone interact. energy: -2.748 local terms energy: -888.655963 where: bonds (distance) C4'-P energy: -166.516 bonds (distance) P-C4' energy: -174.331 flat angles C4'-P-C4' energy: -185.003 flat angles P-C4'-P energy: -127.651 tors. eta vs tors. theta energy: -235.155 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: 1 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2828.105502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.105502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.105502 (E_RNA) where: Base-Base interactions energy: -1954.857 where: short stacking energy: -820.003 Base-Backbone interact. energy: -4.211 local terms energy: -869.037266 where: bonds (distance) C4'-P energy: -152.475 bonds (distance) P-C4' energy: -167.902 flat angles C4'-P-C4' energy: -184.747 flat angles P-C4'-P energy: -119.654 tors. eta vs tors. theta energy: -244.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2737.261198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.261198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.261198 (E_RNA) where: Base-Base interactions energy: -1932.329 where: short stacking energy: -776.777 Base-Backbone interact. energy: 0.994 local terms energy: -805.926020 where: bonds (distance) C4'-P energy: -147.318 bonds (distance) P-C4' energy: -158.073 flat angles C4'-P-C4' energy: -174.355 flat angles P-C4'-P energy: -116.551 tors. eta vs tors. theta energy: -209.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2591.609751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.609751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.609751 (E_RNA) where: Base-Base interactions energy: -1786.104 where: short stacking energy: -777.786 Base-Backbone interact. energy: -2.839 local terms energy: -802.666136 where: bonds (distance) C4'-P energy: -147.206 bonds (distance) P-C4' energy: -148.814 flat angles C4'-P-C4' energy: -174.550 flat angles P-C4'-P energy: -112.010 tors. eta vs tors. theta energy: -220.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2544.900398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.900398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.900398 (E_RNA) where: Base-Base interactions energy: -1753.830 where: short stacking energy: -760.131 Base-Backbone interact. energy: -4.073 local terms energy: -786.997049 where: bonds (distance) C4'-P energy: -123.266 bonds (distance) P-C4' energy: -165.754 flat angles C4'-P-C4' energy: -169.422 flat angles P-C4'-P energy: -116.076 tors. eta vs tors. theta energy: -212.479 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: 8 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -2333.825910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.825910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.825910 (E_RNA) where: Base-Base interactions energy: -1578.496 where: short stacking energy: -687.850 Base-Backbone interact. energy: -4.216 local terms energy: -751.114114 where: bonds (distance) C4'-P energy: -150.106 bonds (distance) P-C4' energy: -147.810 flat angles C4'-P-C4' energy: -168.826 flat angles P-C4'-P energy: -110.417 tors. eta vs tors. theta energy: -173.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -2243.690812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.690812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.690812 (E_RNA) where: Base-Base interactions energy: -1531.318 where: short stacking energy: -652.629 Base-Backbone interact. energy: -3.446 local terms energy: -708.927270 where: bonds (distance) C4'-P energy: -153.065 bonds (distance) P-C4' energy: -129.143 flat angles C4'-P-C4' energy: -149.358 flat angles P-C4'-P energy: -101.692 tors. eta vs tors. theta energy: -175.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1864.191085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.191085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.191085 (E_RNA) where: Base-Base interactions energy: -1237.020 where: short stacking energy: -543.022 Base-Backbone interact. energy: -1.989 local terms energy: -625.182507 where: bonds (distance) C4'-P energy: -125.137 bonds (distance) P-C4' energy: -136.155 flat angles C4'-P-C4' energy: -150.561 flat angles P-C4'-P energy: -79.018 tors. eta vs tors. theta energy: -134.310 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: 100 Temperature: 1.300000 Total energy: -1317.536549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.536549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.536549 (E_RNA) where: Base-Base interactions energy: -800.962 where: short stacking energy: -361.038 Base-Backbone interact. energy: -2.296 local terms energy: -514.279198 where: bonds (distance) C4'-P energy: -136.305 bonds (distance) P-C4' energy: -162.151 flat angles C4'-P-C4' energy: -111.020 flat angles P-C4'-P energy: -70.223 tors. eta vs tors. theta energy: -34.580 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: 10, replica: 10 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -944.844519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.844519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.844519 (E_RNA) where: Base-Base interactions energy: -486.123 where: short stacking energy: -244.830 Base-Backbone interact. energy: 3.639 local terms energy: -462.361441 where: bonds (distance) C4'-P energy: -139.444 bonds (distance) P-C4' energy: -147.373 flat angles C4'-P-C4' energy: -115.021 flat angles P-C4'-P energy: -71.462 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: 101 Temperature: 0.900000 Total energy: -3051.773110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.773110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.773110 (E_RNA) where: Base-Base interactions energy: -2164.659 where: short stacking energy: -856.598 Base-Backbone interact. energy: -5.258 local terms energy: -881.856833 where: bonds (distance) C4'-P energy: -159.211 bonds (distance) P-C4' energy: -170.121 flat angles C4'-P-C4' energy: -183.173 flat angles P-C4'-P energy: -131.181 tors. eta vs tors. theta energy: -238.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2867.526687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.526687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.526687 (E_RNA) where: Base-Base interactions energy: -2005.366 where: short stacking energy: -815.394 Base-Backbone interact. energy: -1.058 local terms energy: -861.102971 where: bonds (distance) C4'-P energy: -157.822 bonds (distance) P-C4' energy: -164.950 flat angles C4'-P-C4' energy: -177.022 flat angles P-C4'-P energy: -126.817 tors. eta vs tors. theta energy: -234.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2767.699468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.699468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.699468 (E_RNA) where: Base-Base interactions energy: -1954.860 where: short stacking energy: -778.851 Base-Backbone interact. energy: -0.381 local terms energy: -812.459388 where: bonds (distance) C4'-P energy: -154.713 bonds (distance) P-C4' energy: -148.489 flat angles C4'-P-C4' energy: -169.404 flat angles P-C4'-P energy: -121.840 tors. eta vs tors. theta energy: -218.014 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: 4 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2603.147361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.147361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.147361 (E_RNA) where: Base-Base interactions energy: -1773.817 where: short stacking energy: -758.090 Base-Backbone interact. energy: -2.234 local terms energy: -827.095775 where: bonds (distance) C4'-P energy: -166.137 bonds (distance) P-C4' energy: -173.553 flat angles C4'-P-C4' energy: -182.935 flat angles P-C4'-P energy: -99.494 tors. eta vs tors. theta energy: -204.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -2484.244791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.244791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.244791 (E_RNA) where: Base-Base interactions energy: -1698.948 where: short stacking energy: -723.875 Base-Backbone interact. energy: -1.828 local terms energy: -783.468881 where: bonds (distance) C4'-P energy: -143.377 bonds (distance) P-C4' energy: -153.812 flat angles C4'-P-C4' energy: -174.840 flat angles P-C4'-P energy: -120.049 tors. eta vs tors. theta energy: -191.391 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: 8 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -2353.950719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.950719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.950719 (E_RNA) where: Base-Base interactions energy: -1594.077 where: short stacking energy: -679.593 Base-Backbone interact. energy: -3.450 local terms energy: -756.424110 where: bonds (distance) C4'-P energy: -157.584 bonds (distance) P-C4' energy: -158.321 flat angles C4'-P-C4' energy: -155.017 flat angles P-C4'-P energy: -109.333 tors. eta vs tors. theta energy: -176.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -2237.493680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.493680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.493680 (E_RNA) where: Base-Base interactions energy: -1512.963 where: short stacking energy: -641.965 Base-Backbone interact. energy: 0.698 local terms energy: -725.228176 where: bonds (distance) C4'-P energy: -136.494 bonds (distance) P-C4' energy: -144.546 flat angles C4'-P-C4' energy: -162.660 flat angles P-C4'-P energy: -103.476 tors. eta vs tors. theta energy: -178.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1827.020147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.020147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.020147 (E_RNA) where: Base-Base interactions energy: -1269.717 where: short stacking energy: -528.645 Base-Backbone interact. energy: 6.614 local terms energy: -563.917593 where: bonds (distance) C4'-P energy: -129.492 bonds (distance) P-C4' energy: -116.886 flat angles C4'-P-C4' energy: -114.063 flat angles P-C4'-P energy: -83.769 tors. eta vs tors. theta energy: -119.708 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: 101 Temperature: 1.300000 Total energy: -1284.936710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.936710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.936710 (E_RNA) where: Base-Base interactions energy: -764.028 where: short stacking energy: -357.450 Base-Backbone interact. energy: 7.109 local terms energy: -528.017358 where: bonds (distance) C4'-P energy: -131.992 bonds (distance) P-C4' energy: -142.583 flat angles C4'-P-C4' energy: -125.770 flat angles P-C4'-P energy: -84.650 tors. eta vs tors. theta energy: -43.022 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: 10 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -1007.307065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.307065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.307065 (E_RNA) where: Base-Base interactions energy: -533.109 where: short stacking energy: -251.873 Base-Backbone interact. energy: -2.660 local terms energy: -471.538050 where: bonds (distance) C4'-P energy: -144.461 bonds (distance) P-C4' energy: -133.023 flat angles C4'-P-C4' energy: -115.785 flat angles P-C4'-P energy: -84.581 tors. eta vs tors. theta energy: 6.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -3073.083910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.083910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.083910 (E_RNA) where: Base-Base interactions energy: -2183.111 where: short stacking energy: -855.321 Base-Backbone interact. energy: -8.313 local terms energy: -881.659992 where: bonds (distance) C4'-P energy: -162.355 bonds (distance) P-C4' energy: -158.360 flat angles C4'-P-C4' energy: -198.489 flat angles P-C4'-P energy: -116.329 tors. eta vs tors. theta energy: -246.127 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: 102 Temperature: 0.950000 Total energy: -2820.992700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.992700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.992700 (E_RNA) where: Base-Base interactions energy: -1994.878 where: short stacking energy: -812.288 Base-Backbone interact. energy: -3.794 local terms energy: -822.320127 where: bonds (distance) C4'-P energy: -145.404 bonds (distance) P-C4' energy: -169.626 flat angles C4'-P-C4' energy: -180.542 flat angles P-C4'-P energy: -122.228 tors. eta vs tors. theta energy: -204.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2747.611634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.611634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.611634 (E_RNA) where: Base-Base interactions energy: -1936.241 where: short stacking energy: -796.264 Base-Backbone interact. energy: -5.628 local terms energy: -805.742542 where: bonds (distance) C4'-P energy: -143.969 bonds (distance) P-C4' energy: -155.957 flat angles C4'-P-C4' energy: -181.574 flat angles P-C4'-P energy: -115.522 tors. eta vs tors. theta energy: -208.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2554.437565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.437565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.437565 (E_RNA) where: Base-Base interactions energy: -1734.318 where: short stacking energy: -723.820 Base-Backbone interact. energy: -3.862 local terms energy: -816.257728 where: bonds (distance) C4'-P energy: -154.885 bonds (distance) P-C4' energy: -156.268 flat angles C4'-P-C4' energy: -169.574 flat angles P-C4'-P energy: -121.114 tors. eta vs tors. theta energy: -214.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -2463.565121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.565121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.565121 (E_RNA) where: Base-Base interactions energy: -1686.628 where: short stacking energy: -712.621 Base-Backbone interact. energy: 6.619 local terms energy: -783.556481 where: bonds (distance) C4'-P energy: -153.054 bonds (distance) P-C4' energy: -161.654 flat angles C4'-P-C4' energy: -164.616 flat angles P-C4'-P energy: -104.229 tors. eta vs tors. theta energy: -200.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -2367.901681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.901681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.901681 (E_RNA) where: Base-Base interactions energy: -1641.697 where: short stacking energy: -703.025 Base-Backbone interact. energy: -1.527 local terms energy: -724.678445 where: bonds (distance) C4'-P energy: -124.600 bonds (distance) P-C4' energy: -150.740 flat angles C4'-P-C4' energy: -164.406 flat angles P-C4'-P energy: -97.601 tors. eta vs tors. theta energy: -187.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -2197.949592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.949592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.949592 (E_RNA) where: Base-Base interactions energy: -1537.597 where: short stacking energy: -632.037 Base-Backbone interact. energy: 0.053 local terms energy: -660.405877 where: bonds (distance) C4'-P energy: -131.199 bonds (distance) P-C4' energy: -134.147 flat angles C4'-P-C4' energy: -139.534 flat angles P-C4'-P energy: -95.669 tors. eta vs tors. theta energy: -159.858 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: 2 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1892.718399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.718399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.718399 (E_RNA) where: Base-Base interactions energy: -1296.822 where: short stacking energy: -546.452 Base-Backbone interact. energy: -3.440 local terms energy: -592.456755 where: bonds (distance) C4'-P energy: -113.443 bonds (distance) P-C4' energy: -139.889 flat angles C4'-P-C4' energy: -143.522 flat angles P-C4'-P energy: -78.384 tors. eta vs tors. theta energy: -117.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -1311.362301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.362301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.362301 (E_RNA) where: Base-Base interactions energy: -805.977 where: short stacking energy: -401.530 Base-Backbone interact. energy: -2.978 local terms energy: -502.406397 where: bonds (distance) C4'-P energy: -121.721 bonds (distance) P-C4' energy: -143.832 flat angles C4'-P-C4' energy: -122.348 flat angles P-C4'-P energy: -72.865 tors. eta vs tors. theta energy: -41.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -1009.015061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.015061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.015061 (E_RNA) where: Base-Base interactions energy: -569.185 where: short stacking energy: -297.639 Base-Backbone interact. energy: 9.922 local terms energy: -449.752978 where: bonds (distance) C4'-P energy: -116.927 bonds (distance) P-C4' energy: -122.274 flat angles C4'-P-C4' energy: -113.108 flat angles P-C4'-P energy: -80.145 tors. eta vs tors. theta energy: -17.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -3070.799770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.799770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.799770 (E_RNA) where: Base-Base interactions energy: -2166.652 where: short stacking energy: -860.117 Base-Backbone interact. energy: -10.512 local terms energy: -893.635095 where: bonds (distance) C4'-P energy: -167.197 bonds (distance) P-C4' energy: -171.710 flat angles C4'-P-C4' energy: -189.964 flat angles P-C4'-P energy: -125.927 tors. eta vs tors. theta energy: -238.837 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: 1 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2784.324260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.324260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.324260 (E_RNA) where: Base-Base interactions energy: -1969.712 where: short stacking energy: -808.429 Base-Backbone interact. energy: -2.279 local terms energy: -812.333005 where: bonds (distance) C4'-P energy: -138.325 bonds (distance) P-C4' energy: -170.341 flat angles C4'-P-C4' energy: -173.889 flat angles P-C4'-P energy: -119.339 tors. eta vs tors. theta energy: -210.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2733.739182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.739182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.739182 (E_RNA) where: Base-Base interactions energy: -1923.854 where: short stacking energy: -765.436 Base-Backbone interact. energy: -3.451 local terms energy: -806.434112 where: bonds (distance) C4'-P energy: -144.849 bonds (distance) P-C4' energy: -163.737 flat angles C4'-P-C4' energy: -171.238 flat angles P-C4'-P energy: -114.336 tors. eta vs tors. theta energy: -212.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2582.230596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.230596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.230596 (E_RNA) where: Base-Base interactions energy: -1804.915 where: short stacking energy: -772.115 Base-Backbone interact. energy: -2.906 local terms energy: -774.409693 where: bonds (distance) C4'-P energy: -141.802 bonds (distance) P-C4' energy: -159.522 flat angles C4'-P-C4' energy: -171.308 flat angles P-C4'-P energy: -92.972 tors. eta vs tors. theta energy: -208.805 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: 5, replica: 7 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -2467.960950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.960950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.960950 (E_RNA) where: Base-Base interactions energy: -1686.038 where: short stacking energy: -703.859 Base-Backbone interact. energy: -2.166 local terms energy: -779.756118 where: bonds (distance) C4'-P energy: -147.978 bonds (distance) P-C4' energy: -180.151 flat angles C4'-P-C4' energy: -161.911 flat angles P-C4'-P energy: -113.344 tors. eta vs tors. theta energy: -176.371 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: 8 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -2356.425000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.425000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.425000 (E_RNA) where: Base-Base interactions energy: -1606.414 where: short stacking energy: -679.006 Base-Backbone interact. energy: -1.929 local terms energy: -748.082322 where: bonds (distance) C4'-P energy: -134.129 bonds (distance) P-C4' energy: -157.005 flat angles C4'-P-C4' energy: -164.087 flat angles P-C4'-P energy: -99.242 tors. eta vs tors. theta energy: -193.619 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: 6 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -2243.057599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.057599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.057599 (E_RNA) where: Base-Base interactions energy: -1550.220 where: short stacking energy: -661.468 Base-Backbone interact. energy: -1.726 local terms energy: -691.112175 where: bonds (distance) C4'-P energy: -129.257 bonds (distance) P-C4' energy: -148.639 flat angles C4'-P-C4' energy: -147.201 flat angles P-C4'-P energy: -97.052 tors. eta vs tors. theta energy: -168.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1904.877795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.877795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.877795 (E_RNA) where: Base-Base interactions energy: -1284.688 where: short stacking energy: -537.428 Base-Backbone interact. energy: -2.016 local terms energy: -618.173995 where: bonds (distance) C4'-P energy: -125.240 bonds (distance) P-C4' energy: -145.870 flat angles C4'-P-C4' energy: -143.542 flat angles P-C4'-P energy: -82.918 tors. eta vs tors. theta energy: -120.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -1305.145474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.145474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.145474 (E_RNA) where: Base-Base interactions energy: -769.639 where: short stacking energy: -375.252 Base-Backbone interact. energy: -6.555 local terms energy: -528.951299 where: bonds (distance) C4'-P energy: -109.203 bonds (distance) P-C4' energy: -154.986 flat angles C4'-P-C4' energy: -133.546 flat angles P-C4'-P energy: -81.357 tors. eta vs tors. theta energy: -49.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -941.685929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.685929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.685929 (E_RNA) where: Base-Base interactions energy: -490.145 where: short stacking energy: -258.338 Base-Backbone interact. energy: -0.737 local terms energy: -450.803934 where: bonds (distance) C4'-P energy: -124.969 bonds (distance) P-C4' energy: -138.549 flat angles C4'-P-C4' energy: -122.048 flat angles P-C4'-P energy: -65.637 tors. eta vs tors. theta energy: 0.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -3089.649660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.649660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.649660 (E_RNA) where: Base-Base interactions energy: -2167.600 where: short stacking energy: -880.189 Base-Backbone interact. energy: -5.844 local terms energy: -916.205354 where: bonds (distance) C4'-P energy: -151.791 bonds (distance) P-C4' energy: -178.167 flat angles C4'-P-C4' energy: -190.105 flat angles P-C4'-P energy: -135.000 tors. eta vs tors. theta energy: -261.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2809.461900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.461900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.461900 (E_RNA) where: Base-Base interactions energy: -1969.838 where: short stacking energy: -792.028 Base-Backbone interact. energy: -4.585 local terms energy: -835.038895 where: bonds (distance) C4'-P energy: -155.059 bonds (distance) P-C4' energy: -166.572 flat angles C4'-P-C4' energy: -190.472 flat angles P-C4'-P energy: -114.473 tors. eta vs tors. theta energy: -208.463 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: 5 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2777.934888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.934888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.934888 (E_RNA) where: Base-Base interactions energy: -1933.168 where: short stacking energy: -789.623 Base-Backbone interact. energy: -5.154 local terms energy: -839.613114 where: bonds (distance) C4'-P energy: -149.942 bonds (distance) P-C4' energy: -163.831 flat angles C4'-P-C4' energy: -182.821 flat angles P-C4'-P energy: -118.751 tors. eta vs tors. theta energy: -224.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2601.498162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.498162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.498162 (E_RNA) where: Base-Base interactions energy: -1796.895 where: short stacking energy: -749.059 Base-Backbone interact. energy: -3.068 local terms energy: -801.534583 where: bonds (distance) C4'-P energy: -140.832 bonds (distance) P-C4' energy: -167.590 flat angles C4'-P-C4' energy: -162.312 flat angles P-C4'-P energy: -113.289 tors. eta vs tors. theta energy: -217.513 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: 8 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -2431.025332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.025332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.025332 (E_RNA) where: Base-Base interactions energy: -1691.384 where: short stacking energy: -727.817 Base-Backbone interact. energy: -4.252 local terms energy: -735.388826 where: bonds (distance) C4'-P energy: -126.961 bonds (distance) P-C4' energy: -154.820 flat angles C4'-P-C4' energy: -173.115 flat angles P-C4'-P energy: -88.414 tors. eta vs tors. theta energy: -192.079 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: 7 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -2391.570044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.570044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.570044 (E_RNA) where: Base-Base interactions energy: -1648.751 where: short stacking energy: -688.525 Base-Backbone interact. energy: 5.865 local terms energy: -748.683632 where: bonds (distance) C4'-P energy: -144.834 bonds (distance) P-C4' energy: -153.474 flat angles C4'-P-C4' energy: -148.819 flat angles P-C4'-P energy: -114.033 tors. eta vs tors. theta energy: -187.524 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: 6 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -2174.607456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.607456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.607456 (E_RNA) where: Base-Base interactions energy: -1482.099 where: short stacking energy: -648.600 Base-Backbone interact. energy: 4.484 local terms energy: -696.993215 where: bonds (distance) C4'-P energy: -138.822 bonds (distance) P-C4' energy: -142.801 flat angles C4'-P-C4' energy: -153.438 flat angles P-C4'-P energy: -82.943 tors. eta vs tors. theta energy: -178.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1922.119540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.119540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.119540 (E_RNA) where: Base-Base interactions energy: -1284.084 where: short stacking energy: -545.192 Base-Backbone interact. energy: -3.155 local terms energy: -634.880828 where: bonds (distance) C4'-P energy: -139.369 bonds (distance) P-C4' energy: -128.567 flat angles C4'-P-C4' energy: -131.494 flat angles P-C4'-P energy: -102.132 tors. eta vs tors. theta energy: -133.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -1348.849431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.849431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.849431 (E_RNA) where: Base-Base interactions energy: -828.807 where: short stacking energy: -387.332 Base-Backbone interact. energy: -1.077 local terms energy: -518.964575 where: bonds (distance) C4'-P energy: -117.724 bonds (distance) P-C4' energy: -129.069 flat angles C4'-P-C4' energy: -132.179 flat angles P-C4'-P energy: -82.627 tors. eta vs tors. theta energy: -57.365 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: 10, replica: 10 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -903.297468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.297468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.297468 (E_RNA) where: Base-Base interactions energy: -452.693 where: short stacking energy: -251.633 Base-Backbone interact. energy: -1.406 local terms energy: -449.198335 where: bonds (distance) C4'-P energy: -126.372 bonds (distance) P-C4' energy: -142.345 flat angles C4'-P-C4' energy: -122.302 flat angles P-C4'-P energy: -66.626 tors. eta vs tors. theta energy: 8.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -3077.865849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.865849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.865849 (E_RNA) where: Base-Base interactions energy: -2176.332 where: short stacking energy: -887.500 Base-Backbone interact. energy: -4.615 local terms energy: -896.919701 where: bonds (distance) C4'-P energy: -159.656 bonds (distance) P-C4' energy: -161.465 flat angles C4'-P-C4' energy: -183.028 flat angles P-C4'-P energy: -135.347 tors. eta vs tors. theta energy: -257.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2823.275030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.275030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.275030 (E_RNA) where: Base-Base interactions energy: -1970.378 where: short stacking energy: -824.035 Base-Backbone interact. energy: -2.237 local terms energy: -850.659203 where: bonds (distance) C4'-P energy: -147.636 bonds (distance) P-C4' energy: -173.502 flat angles C4'-P-C4' energy: -173.511 flat angles P-C4'-P energy: -127.018 tors. eta vs tors. theta energy: -228.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2738.864350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.864350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.864350 (E_RNA) where: Base-Base interactions energy: -1895.048 where: short stacking energy: -770.548 Base-Backbone interact. energy: -5.999 local terms energy: -837.817526 where: bonds (distance) C4'-P energy: -156.495 bonds (distance) P-C4' energy: -158.893 flat angles C4'-P-C4' energy: -183.683 flat angles P-C4'-P energy: -125.808 tors. eta vs tors. theta energy: -212.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2620.030095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.030095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.030095 (E_RNA) where: Base-Base interactions energy: -1826.679 where: short stacking energy: -780.143 Base-Backbone interact. energy: -3.053 local terms energy: -790.297975 where: bonds (distance) C4'-P energy: -143.690 bonds (distance) P-C4' energy: -147.102 flat angles C4'-P-C4' energy: -173.069 flat angles P-C4'-P energy: -119.769 tors. eta vs tors. theta energy: -206.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2429.151029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.151029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.151029 (E_RNA) where: Base-Base interactions energy: -1660.194 where: short stacking energy: -712.962 Base-Backbone interact. energy: -1.862 local terms energy: -767.095045 where: bonds (distance) C4'-P energy: -155.817 bonds (distance) P-C4' energy: -148.282 flat angles C4'-P-C4' energy: -172.090 flat angles P-C4'-P energy: -112.568 tors. eta vs tors. theta energy: -178.338 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: 7 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -2383.711541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.711541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.711541 (E_RNA) where: Base-Base interactions energy: -1659.841 where: short stacking energy: -687.852 Base-Backbone interact. energy: -5.531 local terms energy: -718.340007 where: bonds (distance) C4'-P energy: -131.770 bonds (distance) P-C4' energy: -132.714 flat angles C4'-P-C4' energy: -149.954 flat angles P-C4'-P energy: -113.354 tors. eta vs tors. theta energy: -190.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -2162.059367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.059367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.059367 (E_RNA) where: Base-Base interactions energy: -1481.982 where: short stacking energy: -616.354 Base-Backbone interact. energy: 2.227 local terms energy: -682.305047 where: bonds (distance) C4'-P energy: -134.374 bonds (distance) P-C4' energy: -132.938 flat angles C4'-P-C4' energy: -151.983 flat angles P-C4'-P energy: -114.728 tors. eta vs tors. theta energy: -148.283 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: 105 Temperature: 1.250000 Total energy: -1867.583765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.583765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.583765 (E_RNA) where: Base-Base interactions energy: -1246.780 where: short stacking energy: -513.163 Base-Backbone interact. energy: -4.694 local terms energy: -616.109920 where: bonds (distance) C4'-P energy: -145.354 bonds (distance) P-C4' energy: -126.037 flat angles C4'-P-C4' energy: -130.831 flat angles P-C4'-P energy: -84.403 tors. eta vs tors. theta energy: -129.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -1321.627540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.627540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.627540 (E_RNA) where: Base-Base interactions energy: -806.831 where: short stacking energy: -388.427 Base-Backbone interact. energy: 7.661 local terms energy: -522.457069 where: bonds (distance) C4'-P energy: -131.029 bonds (distance) P-C4' energy: -134.733 flat angles C4'-P-C4' energy: -116.587 flat angles P-C4'-P energy: -91.067 tors. eta vs tors. theta energy: -49.041 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: 10 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -961.433785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.433785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.433785 (E_RNA) where: Base-Base interactions energy: -492.614 where: short stacking energy: -268.973 Base-Backbone interact. energy: -0.577 local terms energy: -468.243038 where: bonds (distance) C4'-P energy: -125.353 bonds (distance) P-C4' energy: -145.674 flat angles C4'-P-C4' energy: -127.813 flat angles P-C4'-P energy: -75.996 tors. eta vs tors. theta energy: 6.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -3083.288286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.288286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.288286 (E_RNA) where: Base-Base interactions energy: -2179.839 where: short stacking energy: -874.615 Base-Backbone interact. energy: -2.226 local terms energy: -901.223732 where: bonds (distance) C4'-P energy: -153.206 bonds (distance) P-C4' energy: -163.725 flat angles C4'-P-C4' energy: -197.421 flat angles P-C4'-P energy: -133.896 tors. eta vs tors. theta energy: -252.975 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: 106 Temperature: 0.950000 Total energy: -2854.446866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.446866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.446866 (E_RNA) where: Base-Base interactions energy: -1992.334 where: short stacking energy: -832.063 Base-Backbone interact. energy: -4.247 local terms energy: -857.865651 where: bonds (distance) C4'-P energy: -156.357 bonds (distance) P-C4' energy: -156.030 flat angles C4'-P-C4' energy: -184.694 flat angles P-C4'-P energy: -133.745 tors. eta vs tors. theta energy: -227.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2719.130893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.130893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.130893 (E_RNA) where: Base-Base interactions energy: -1916.896 where: short stacking energy: -791.584 Base-Backbone interact. energy: -2.777 local terms energy: -799.457729 where: bonds (distance) C4'-P energy: -144.392 bonds (distance) P-C4' energy: -155.522 flat angles C4'-P-C4' energy: -186.668 flat angles P-C4'-P energy: -107.352 tors. eta vs tors. theta energy: -205.523 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: 4, replica: 4 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2599.222809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.222809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.222809 (E_RNA) where: Base-Base interactions energy: -1796.729 where: short stacking energy: -752.494 Base-Backbone interact. energy: -3.252 local terms energy: -799.242242 where: bonds (distance) C4'-P energy: -150.583 bonds (distance) P-C4' energy: -127.594 flat angles C4'-P-C4' energy: -180.192 flat angles P-C4'-P energy: -116.232 tors. eta vs tors. theta energy: -224.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -2488.444257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.444257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.444257 (E_RNA) where: Base-Base interactions energy: -1709.133 where: short stacking energy: -712.326 Base-Backbone interact. energy: -1.666 local terms energy: -777.645635 where: bonds (distance) C4'-P energy: -129.935 bonds (distance) P-C4' energy: -152.322 flat angles C4'-P-C4' energy: -172.931 flat angles P-C4'-P energy: -119.071 tors. eta vs tors. theta energy: -203.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -2388.008702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.008702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.008702 (E_RNA) where: Base-Base interactions energy: -1659.511 where: short stacking energy: -682.771 Base-Backbone interact. energy: -4.355 local terms energy: -724.142514 where: bonds (distance) C4'-P energy: -143.034 bonds (distance) P-C4' energy: -155.173 flat angles C4'-P-C4' energy: -145.618 flat angles P-C4'-P energy: -104.413 tors. eta vs tors. theta energy: -175.904 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: 106 Temperature: 1.200000 Total energy: -2172.166663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.166663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.166663 (E_RNA) where: Base-Base interactions energy: -1523.187 where: short stacking energy: -636.640 Base-Backbone interact. energy: -6.780 local terms energy: -642.199339 where: bonds (distance) C4'-P energy: -124.582 bonds (distance) P-C4' energy: -135.038 flat angles C4'-P-C4' energy: -159.426 flat angles P-C4'-P energy: -86.060 tors. eta vs tors. theta energy: -137.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1813.639456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.639456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.639456 (E_RNA) where: Base-Base interactions energy: -1202.177 where: short stacking energy: -502.374 Base-Backbone interact. energy: -0.058 local terms energy: -611.404547 where: bonds (distance) C4'-P energy: -115.693 bonds (distance) P-C4' energy: -149.354 flat angles C4'-P-C4' energy: -139.551 flat angles P-C4'-P energy: -95.984 tors. eta vs tors. theta energy: -110.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1347.841120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.841120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.841120 (E_RNA) where: Base-Base interactions energy: -831.415 where: short stacking energy: -394.665 Base-Backbone interact. energy: 0.030 local terms energy: -516.456817 where: bonds (distance) C4'-P energy: -128.172 bonds (distance) P-C4' energy: -148.639 flat angles C4'-P-C4' energy: -142.664 flat angles P-C4'-P energy: -49.932 tors. eta vs tors. theta energy: -47.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -905.119929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.119929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.119929 (E_RNA) where: Base-Base interactions energy: -456.523 where: short stacking energy: -268.789 Base-Backbone interact. energy: -0.101 local terms energy: -448.496352 where: bonds (distance) C4'-P energy: -138.783 bonds (distance) P-C4' energy: -148.768 flat angles C4'-P-C4' energy: -96.525 flat angles P-C4'-P energy: -57.397 tors. eta vs tors. theta energy: -7.024 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: 3 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -3081.986319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.986319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.986319 (E_RNA) where: Base-Base interactions energy: -2186.844 where: short stacking energy: -863.377 Base-Backbone interact. energy: -5.842 local terms energy: -889.300675 where: bonds (distance) C4'-P energy: -177.586 bonds (distance) P-C4' energy: -152.107 flat angles C4'-P-C4' energy: -183.732 flat angles P-C4'-P energy: -124.266 tors. eta vs tors. theta energy: -251.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2850.336934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.336934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.336934 (E_RNA) where: Base-Base interactions energy: -1985.512 where: short stacking energy: -829.210 Base-Backbone interact. energy: -4.214 local terms energy: -860.611376 where: bonds (distance) C4'-P energy: -166.269 bonds (distance) P-C4' energy: -167.742 flat angles C4'-P-C4' energy: -180.795 flat angles P-C4'-P energy: -112.651 tors. eta vs tors. theta energy: -233.155 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: 107 Temperature: 1.000000 Total energy: -2757.135511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.135511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.135511 (E_RNA) where: Base-Base interactions energy: -1922.650 where: short stacking energy: -789.988 Base-Backbone interact. energy: -3.555 local terms energy: -830.929743 where: bonds (distance) C4'-P energy: -144.474 bonds (distance) P-C4' energy: -169.275 flat angles C4'-P-C4' energy: -171.663 flat angles P-C4'-P energy: -121.143 tors. eta vs tors. theta energy: -224.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2621.274330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.274330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.274330 (E_RNA) where: Base-Base interactions energy: -1798.213 where: short stacking energy: -766.080 Base-Backbone interact. energy: -3.363 local terms energy: -819.698488 where: bonds (distance) C4'-P energy: -157.203 bonds (distance) P-C4' energy: -160.447 flat angles C4'-P-C4' energy: -181.262 flat angles P-C4'-P energy: -111.556 tors. eta vs tors. theta energy: -209.229 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: 8 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -2481.890787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.890787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.890787 (E_RNA) where: Base-Base interactions energy: -1725.203 where: short stacking energy: -718.674 Base-Backbone interact. energy: 0.025 local terms energy: -756.712871 where: bonds (distance) C4'-P energy: -146.998 bonds (distance) P-C4' energy: -155.039 flat angles C4'-P-C4' energy: -143.295 flat angles P-C4'-P energy: -112.471 tors. eta vs tors. theta energy: -198.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -2348.478826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.478826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.478826 (E_RNA) where: Base-Base interactions energy: -1649.315 where: short stacking energy: -677.147 Base-Backbone interact. energy: -3.232 local terms energy: -695.931386 where: bonds (distance) C4'-P energy: -147.006 bonds (distance) P-C4' energy: -118.348 flat angles C4'-P-C4' energy: -150.773 flat angles P-C4'-P energy: -98.441 tors. eta vs tors. theta energy: -181.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -2147.131999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.131999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.131999 (E_RNA) where: Base-Base interactions energy: -1453.392 where: short stacking energy: -615.382 Base-Backbone interact. energy: -3.353 local terms energy: -690.387143 where: bonds (distance) C4'-P energy: -133.984 bonds (distance) P-C4' energy: -153.808 flat angles C4'-P-C4' energy: -153.053 flat angles P-C4'-P energy: -95.672 tors. eta vs tors. theta energy: -153.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1888.794645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.794645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.794645 (E_RNA) where: Base-Base interactions energy: -1252.587 where: short stacking energy: -551.129 Base-Backbone interact. energy: 0.389 local terms energy: -636.596502 where: bonds (distance) C4'-P energy: -137.801 bonds (distance) P-C4' energy: -138.584 flat angles C4'-P-C4' energy: -142.195 flat angles P-C4'-P energy: -91.149 tors. eta vs tors. theta energy: -126.867 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: 107 Temperature: 1.300000 Total energy: -1378.398392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.398392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.398392 (E_RNA) where: Base-Base interactions energy: -820.273 where: short stacking energy: -368.899 Base-Backbone interact. energy: -2.480 local terms energy: -555.645431 where: bonds (distance) C4'-P energy: -118.916 bonds (distance) P-C4' energy: -151.401 flat angles C4'-P-C4' energy: -126.973 flat angles P-C4'-P energy: -97.350 tors. eta vs tors. theta energy: -61.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -934.022234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.022234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.022234 (E_RNA) where: Base-Base interactions energy: -475.014 where: short stacking energy: -264.791 Base-Backbone interact. energy: 0.475 local terms energy: -459.483171 where: bonds (distance) C4'-P energy: -138.862 bonds (distance) P-C4' energy: -147.503 flat angles C4'-P-C4' energy: -117.516 flat angles P-C4'-P energy: -59.576 tors. eta vs tors. theta energy: 3.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -3069.915931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.915931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.915931 (E_RNA) where: Base-Base interactions energy: -2170.084 where: short stacking energy: -872.323 Base-Backbone interact. energy: -5.888 local terms energy: -893.944448 where: bonds (distance) C4'-P energy: -143.862 bonds (distance) P-C4' energy: -178.740 flat angles C4'-P-C4' energy: -187.006 flat angles P-C4'-P energy: -133.797 tors. eta vs tors. theta energy: -250.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2830.182894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.182894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.182894 (E_RNA) where: Base-Base interactions energy: -1945.240 where: short stacking energy: -834.650 Base-Backbone interact. energy: -3.592 local terms energy: -881.350798 where: bonds (distance) C4'-P energy: -162.989 bonds (distance) P-C4' energy: -181.889 flat angles C4'-P-C4' energy: -186.410 flat angles P-C4'-P energy: -114.861 tors. eta vs tors. theta energy: -235.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2726.997559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.997559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.997559 (E_RNA) where: Base-Base interactions energy: -1873.127 where: short stacking energy: -763.139 Base-Backbone interact. energy: -6.289 local terms energy: -847.581863 where: bonds (distance) C4'-P energy: -155.992 bonds (distance) P-C4' energy: -164.934 flat angles C4'-P-C4' energy: -175.442 flat angles P-C4'-P energy: -136.555 tors. eta vs tors. theta energy: -214.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2618.058986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.058986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.058986 (E_RNA) where: Base-Base interactions energy: -1814.158 where: short stacking energy: -769.845 Base-Backbone interact. energy: -2.554 local terms energy: -801.346441 where: bonds (distance) C4'-P energy: -147.306 bonds (distance) P-C4' energy: -161.601 flat angles C4'-P-C4' energy: -178.375 flat angles P-C4'-P energy: -98.994 tors. eta vs tors. theta energy: -215.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2466.692142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.692142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.692142 (E_RNA) where: Base-Base interactions energy: -1696.859 where: short stacking energy: -702.722 Base-Backbone interact. energy: -4.643 local terms energy: -765.189502 where: bonds (distance) C4'-P energy: -133.481 bonds (distance) P-C4' energy: -146.624 flat angles C4'-P-C4' energy: -167.125 flat angles P-C4'-P energy: -116.070 tors. eta vs tors. theta energy: -201.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -2341.825078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.825078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.825078 (E_RNA) where: Base-Base interactions energy: -1599.601 where: short stacking energy: -654.575 Base-Backbone interact. energy: -2.804 local terms energy: -739.420743 where: bonds (distance) C4'-P energy: -140.488 bonds (distance) P-C4' energy: -164.172 flat angles C4'-P-C4' energy: -146.869 flat angles P-C4'-P energy: -108.253 tors. eta vs tors. theta energy: -179.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -2115.900872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.900872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.900872 (E_RNA) where: Base-Base interactions energy: -1441.205 where: short stacking energy: -614.400 Base-Backbone interact. energy: 1.050 local terms energy: -675.745839 where: bonds (distance) C4'-P energy: -144.067 bonds (distance) P-C4' energy: -135.924 flat angles C4'-P-C4' energy: -153.159 flat angles P-C4'-P energy: -92.020 tors. eta vs tors. theta energy: -150.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1835.056350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.056350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.056350 (E_RNA) where: Base-Base interactions energy: -1223.394 where: short stacking energy: -530.977 Base-Backbone interact. energy: -3.353 local terms energy: -608.309039 where: bonds (distance) C4'-P energy: -122.764 bonds (distance) P-C4' energy: -133.866 flat angles C4'-P-C4' energy: -145.641 flat angles P-C4'-P energy: -91.274 tors. eta vs tors. theta energy: -114.765 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: 9, replica: 9 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -1368.205256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.205256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.205256 (E_RNA) where: Base-Base interactions energy: -858.009 where: short stacking energy: -400.619 Base-Backbone interact. energy: 4.918 local terms energy: -515.113900 where: bonds (distance) C4'-P energy: -118.690 bonds (distance) P-C4' energy: -155.813 flat angles C4'-P-C4' energy: -114.960 flat angles P-C4'-P energy: -65.054 tors. eta vs tors. theta energy: -60.597 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: 10, replica: 10 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -987.261851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.261851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.261851 (E_RNA) where: Base-Base interactions energy: -543.224 where: short stacking energy: -275.199 Base-Backbone interact. energy: 1.435 local terms energy: -445.898532 where: bonds (distance) C4'-P energy: -125.073 bonds (distance) P-C4' energy: -135.945 flat angles C4'-P-C4' energy: -102.084 flat angles P-C4'-P energy: -76.659 tors. eta vs tors. theta energy: -6.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.426 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -3042.634651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.634651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.634651 (E_RNA) where: Base-Base interactions energy: -2160.289 where: short stacking energy: -862.409 Base-Backbone interact. energy: -7.449 local terms energy: -874.897059 where: bonds (distance) C4'-P energy: -153.610 bonds (distance) P-C4' energy: -169.035 flat angles C4'-P-C4' energy: -190.702 flat angles P-C4'-P energy: -120.596 tors. eta vs tors. theta energy: -240.954 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: 1 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2857.440843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.440843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.440843 (E_RNA) where: Base-Base interactions energy: -1979.966 where: short stacking energy: -837.129 Base-Backbone interact. energy: -3.693 local terms energy: -873.781646 where: bonds (distance) C4'-P energy: -165.799 bonds (distance) P-C4' energy: -156.960 flat angles C4'-P-C4' energy: -186.220 flat angles P-C4'-P energy: -124.681 tors. eta vs tors. theta energy: -240.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2705.126057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.126057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.126057 (E_RNA) where: Base-Base interactions energy: -1861.721 where: short stacking energy: -782.883 Base-Backbone interact. energy: -4.432 local terms energy: -838.972791 where: bonds (distance) C4'-P energy: -169.340 bonds (distance) P-C4' energy: -171.369 flat angles C4'-P-C4' energy: -163.481 flat angles P-C4'-P energy: -123.904 tors. eta vs tors. theta energy: -210.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2590.072933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.072933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.072933 (E_RNA) where: Base-Base interactions energy: -1783.319 where: short stacking energy: -750.215 Base-Backbone interact. energy: -2.052 local terms energy: -804.701388 where: bonds (distance) C4'-P energy: -157.019 bonds (distance) P-C4' energy: -166.488 flat angles C4'-P-C4' energy: -161.394 flat angles P-C4'-P energy: -112.988 tors. eta vs tors. theta energy: -206.811 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: 8 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -2467.487274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.487274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.487274 (E_RNA) where: Base-Base interactions energy: -1710.975 where: short stacking energy: -716.556 Base-Backbone interact. energy: -3.594 local terms energy: -752.918589 where: bonds (distance) C4'-P energy: -132.217 bonds (distance) P-C4' energy: -153.314 flat angles C4'-P-C4' energy: -158.570 flat angles P-C4'-P energy: -119.817 tors. eta vs tors. theta energy: -189.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -2309.345524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.345524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.345524 (E_RNA) where: Base-Base interactions energy: -1598.990 where: short stacking energy: -640.924 Base-Backbone interact. energy: -3.523 local terms energy: -706.832229 where: bonds (distance) C4'-P energy: -144.183 bonds (distance) P-C4' energy: -148.319 flat angles C4'-P-C4' energy: -158.307 flat angles P-C4'-P energy: -96.739 tors. eta vs tors. theta energy: -159.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -2221.789532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.789532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.789532 (E_RNA) where: Base-Base interactions energy: -1527.270 where: short stacking energy: -659.159 Base-Backbone interact. energy: -2.435 local terms energy: -692.084342 where: bonds (distance) C4'-P energy: -133.132 bonds (distance) P-C4' energy: -160.707 flat angles C4'-P-C4' energy: -134.838 flat angles P-C4'-P energy: -96.090 tors. eta vs tors. theta energy: -167.317 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: 2 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1820.720799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.720799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.720799 (E_RNA) where: Base-Base interactions energy: -1205.491 where: short stacking energy: -508.593 Base-Backbone interact. energy: 0.901 local terms energy: -616.130343 where: bonds (distance) C4'-P energy: -121.570 bonds (distance) P-C4' energy: -144.465 flat angles C4'-P-C4' energy: -147.141 flat angles P-C4'-P energy: -95.107 tors. eta vs tors. theta energy: -107.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -1429.361042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.361042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.361042 (E_RNA) where: Base-Base interactions energy: -852.322 where: short stacking energy: -410.035 Base-Backbone interact. energy: -1.347 local terms energy: -575.691575 where: bonds (distance) C4'-P energy: -119.244 bonds (distance) P-C4' energy: -172.160 flat angles C4'-P-C4' energy: -131.308 flat angles P-C4'-P energy: -73.435 tors. eta vs tors. theta energy: -79.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -977.375632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.375632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.375632 (E_RNA) where: Base-Base interactions energy: -522.187 where: short stacking energy: -288.613 Base-Backbone interact. energy: 10.018 local terms energy: -465.206425 where: bonds (distance) C4'-P energy: -121.228 bonds (distance) P-C4' energy: -136.834 flat angles C4'-P-C4' energy: -130.272 flat angles P-C4'-P energy: -69.375 tors. eta vs tors. theta energy: -7.496 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: 3 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -3051.949656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.949656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.949656 (E_RNA) where: Base-Base interactions energy: -2179.715 where: short stacking energy: -854.057 Base-Backbone interact. energy: -2.947 local terms energy: -869.287712 where: bonds (distance) C4'-P energy: -156.988 bonds (distance) P-C4' energy: -174.339 flat angles C4'-P-C4' energy: -183.106 flat angles P-C4'-P energy: -116.028 tors. eta vs tors. theta energy: -238.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2808.368244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.368244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.368244 (E_RNA) where: Base-Base interactions energy: -1948.450 where: short stacking energy: -797.375 Base-Backbone interact. energy: -3.979 local terms energy: -855.939027 where: bonds (distance) C4'-P energy: -158.107 bonds (distance) P-C4' energy: -161.864 flat angles C4'-P-C4' energy: -191.077 flat angles P-C4'-P energy: -128.273 tors. eta vs tors. theta energy: -216.617 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: 5 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2736.116108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.116108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.116108 (E_RNA) where: Base-Base interactions energy: -1924.481 where: short stacking energy: -804.131 Base-Backbone interact. energy: 2.452 local terms energy: -814.087520 where: bonds (distance) C4'-P energy: -141.597 bonds (distance) P-C4' energy: -168.241 flat angles C4'-P-C4' energy: -172.241 flat angles P-C4'-P energy: -120.729 tors. eta vs tors. theta energy: -211.280 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: 4 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2569.072227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.072227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.072227 (E_RNA) where: Base-Base interactions energy: -1771.761 where: short stacking energy: -730.435 Base-Backbone interact. energy: -4.483 local terms energy: -792.827997 where: bonds (distance) C4'-P energy: -160.309 bonds (distance) P-C4' energy: -152.975 flat angles C4'-P-C4' energy: -167.172 flat angles P-C4'-P energy: -104.967 tors. eta vs tors. theta energy: -207.405 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: 8 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -2444.856332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.856332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.856332 (E_RNA) where: Base-Base interactions energy: -1673.882 where: short stacking energy: -720.429 Base-Backbone interact. energy: -4.884 local terms energy: -766.089705 where: bonds (distance) C4'-P energy: -143.700 bonds (distance) P-C4' energy: -170.252 flat angles C4'-P-C4' energy: -159.683 flat angles P-C4'-P energy: -105.191 tors. eta vs tors. theta energy: -187.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -2315.814585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.814585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.814585 (E_RNA) where: Base-Base interactions energy: -1592.619 where: short stacking energy: -658.409 Base-Backbone interact. energy: 1.154 local terms energy: -724.349578 where: bonds (distance) C4'-P energy: -124.820 bonds (distance) P-C4' energy: -162.761 flat angles C4'-P-C4' energy: -155.262 flat angles P-C4'-P energy: -102.099 tors. eta vs tors. theta energy: -179.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -2197.110640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.110640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.110640 (E_RNA) where: Base-Base interactions energy: -1498.324 where: short stacking energy: -617.816 Base-Backbone interact. energy: -3.112 local terms energy: -695.674667 where: bonds (distance) C4'-P energy: -122.752 bonds (distance) P-C4' energy: -137.352 flat angles C4'-P-C4' energy: -156.705 flat angles P-C4'-P energy: -102.851 tors. eta vs tors. theta energy: -176.016 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: 2 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1824.341807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.341807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.341807 (E_RNA) where: Base-Base interactions energy: -1168.266 where: short stacking energy: -526.460 Base-Backbone interact. energy: -3.563 local terms energy: -652.513139 where: bonds (distance) C4'-P energy: -103.920 bonds (distance) P-C4' energy: -164.236 flat angles C4'-P-C4' energy: -151.765 flat angles P-C4'-P energy: -93.883 tors. eta vs tors. theta energy: -138.709 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: 110 Temperature: 1.300000 Total energy: -1398.425845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.425845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.425845 (E_RNA) where: Base-Base interactions energy: -854.408 where: short stacking energy: -388.937 Base-Backbone interact. energy: 3.352 local terms energy: -547.369833 where: bonds (distance) C4'-P energy: -118.447 bonds (distance) P-C4' energy: -165.999 flat angles C4'-P-C4' energy: -143.692 flat angles P-C4'-P energy: -59.703 tors. eta vs tors. theta energy: -59.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -1056.127161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.127161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.127161 (E_RNA) where: Base-Base interactions energy: -623.922 where: short stacking energy: -338.204 Base-Backbone interact. energy: -0.100 local terms energy: -432.105127 where: bonds (distance) C4'-P energy: -101.617 bonds (distance) P-C4' energy: -124.791 flat angles C4'-P-C4' energy: -106.660 flat angles P-C4'-P energy: -72.106 tors. eta vs tors. theta energy: -26.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -3057.078798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.078798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.078798 (E_RNA) where: Base-Base interactions energy: -2163.055 where: short stacking energy: -899.143 Base-Backbone interact. energy: -3.960 local terms energy: -890.063627 where: bonds (distance) C4'-P energy: -157.111 bonds (distance) P-C4' energy: -172.453 flat angles C4'-P-C4' energy: -184.795 flat angles P-C4'-P energy: -127.097 tors. eta vs tors. theta energy: -248.607 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: 1 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2808.540474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.540474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.540474 (E_RNA) where: Base-Base interactions energy: -1967.725 where: short stacking energy: -801.576 Base-Backbone interact. energy: -3.613 local terms energy: -837.203101 where: bonds (distance) C4'-P energy: -161.149 bonds (distance) P-C4' energy: -156.364 flat angles C4'-P-C4' energy: -174.739 flat angles P-C4'-P energy: -121.355 tors. eta vs tors. theta energy: -223.596 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: 5 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2678.884823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.884823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.884823 (E_RNA) where: Base-Base interactions energy: -1890.869 where: short stacking energy: -753.499 Base-Backbone interact. energy: -2.360 local terms energy: -785.656014 where: bonds (distance) C4'-P energy: -154.192 bonds (distance) P-C4' energy: -156.645 flat angles C4'-P-C4' energy: -164.473 flat angles P-C4'-P energy: -117.664 tors. eta vs tors. theta energy: -192.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2577.772487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.772487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.772487 (E_RNA) where: Base-Base interactions energy: -1769.088 where: short stacking energy: -765.403 Base-Backbone interact. energy: -4.703 local terms energy: -803.981683 where: bonds (distance) C4'-P energy: -140.759 bonds (distance) P-C4' energy: -163.249 flat angles C4'-P-C4' energy: -182.476 flat angles P-C4'-P energy: -102.897 tors. eta vs tors. theta energy: -214.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -2442.823824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.823824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.823824 (E_RNA) where: Base-Base interactions energy: -1691.179 where: short stacking energy: -723.519 Base-Backbone interact. energy: 0.263 local terms energy: -751.907796 where: bonds (distance) C4'-P energy: -123.390 bonds (distance) P-C4' energy: -157.296 flat angles C4'-P-C4' energy: -174.137 flat angles P-C4'-P energy: -101.062 tors. eta vs tors. theta energy: -196.022 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: 7 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -2347.839882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.839882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.839882 (E_RNA) where: Base-Base interactions energy: -1608.490 where: short stacking energy: -654.085 Base-Backbone interact. energy: 1.216 local terms energy: -740.565477 where: bonds (distance) C4'-P energy: -132.147 bonds (distance) P-C4' energy: -162.394 flat angles C4'-P-C4' energy: -152.868 flat angles P-C4'-P energy: -117.332 tors. eta vs tors. theta energy: -175.825 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: 7, replica: 6 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -2216.820463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.820463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.820463 (E_RNA) where: Base-Base interactions energy: -1501.988 where: short stacking energy: -655.073 Base-Backbone interact. energy: -2.722 local terms energy: -712.109996 where: bonds (distance) C4'-P energy: -116.925 bonds (distance) P-C4' energy: -140.773 flat angles C4'-P-C4' energy: -161.049 flat angles P-C4'-P energy: -115.538 tors. eta vs tors. theta energy: -177.824 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: 2 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1819.193775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.193775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.193775 (E_RNA) where: Base-Base interactions energy: -1202.241 where: short stacking energy: -519.171 Base-Backbone interact. energy: -3.611 local terms energy: -613.341765 where: bonds (distance) C4'-P energy: -132.194 bonds (distance) P-C4' energy: -148.622 flat angles C4'-P-C4' energy: -135.880 flat angles P-C4'-P energy: -85.905 tors. eta vs tors. theta energy: -110.740 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: 111 Temperature: 1.300000 Total energy: -1348.327466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.327466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.327466 (E_RNA) where: Base-Base interactions energy: -820.552 where: short stacking energy: -385.070 Base-Backbone interact. energy: -3.542 local terms energy: -524.233736 where: bonds (distance) C4'-P energy: -121.164 bonds (distance) P-C4' energy: -145.478 flat angles C4'-P-C4' energy: -128.791 flat angles P-C4'-P energy: -80.817 tors. eta vs tors. theta energy: -47.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -975.796407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.796407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.796407 (E_RNA) where: Base-Base interactions energy: -522.086 where: short stacking energy: -259.198 Base-Backbone interact. energy: 4.693 local terms energy: -458.403829 where: bonds (distance) C4'-P energy: -126.042 bonds (distance) P-C4' energy: -145.971 flat angles C4'-P-C4' energy: -123.212 flat angles P-C4'-P energy: -70.332 tors. eta vs tors. theta energy: 7.153 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: 3 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -3036.102307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.102307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.102307 (E_RNA) where: Base-Base interactions energy: -2169.918 where: short stacking energy: -862.253 Base-Backbone interact. energy: -3.791 local terms energy: -862.393491 where: bonds (distance) C4'-P energy: -149.359 bonds (distance) P-C4' energy: -166.689 flat angles C4'-P-C4' energy: -174.126 flat angles P-C4'-P energy: -128.162 tors. eta vs tors. theta energy: -244.057 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: 2, replica: 1 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2826.107402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.107402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.107402 (E_RNA) where: Base-Base interactions energy: -1972.280 where: short stacking energy: -826.071 Base-Backbone interact. energy: -0.202 local terms energy: -853.624945 where: bonds (distance) C4'-P energy: -155.063 bonds (distance) P-C4' energy: -179.186 flat angles C4'-P-C4' energy: -172.030 flat angles P-C4'-P energy: -108.689 tors. eta vs tors. theta energy: -238.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2738.290369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.290369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.290369 (E_RNA) where: Base-Base interactions energy: -1946.295 where: short stacking energy: -752.899 Base-Backbone interact. energy: -9.122 local terms energy: -782.872840 where: bonds (distance) C4'-P energy: -148.182 bonds (distance) P-C4' energy: -152.579 flat angles C4'-P-C4' energy: -181.442 flat angles P-C4'-P energy: -106.046 tors. eta vs tors. theta energy: -194.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2603.436202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.436202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.436202 (E_RNA) where: Base-Base interactions energy: -1801.411 where: short stacking energy: -743.918 Base-Backbone interact. energy: -2.382 local terms energy: -799.642697 where: bonds (distance) C4'-P energy: -160.639 bonds (distance) P-C4' energy: -153.772 flat angles C4'-P-C4' energy: -175.540 flat angles P-C4'-P energy: -107.781 tors. eta vs tors. theta energy: -201.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2463.941826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.941826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.941826 (E_RNA) where: Base-Base interactions energy: -1696.019 where: short stacking energy: -738.288 Base-Backbone interact. energy: 0.039 local terms energy: -767.961714 where: bonds (distance) C4'-P energy: -153.914 bonds (distance) P-C4' energy: -135.366 flat angles C4'-P-C4' energy: -173.540 flat angles P-C4'-P energy: -101.169 tors. eta vs tors. theta energy: -203.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -2317.235151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.235151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.235151 (E_RNA) where: Base-Base interactions energy: -1587.706 where: short stacking energy: -681.280 Base-Backbone interact. energy: 1.731 local terms energy: -731.260738 where: bonds (distance) C4'-P energy: -136.330 bonds (distance) P-C4' energy: -158.144 flat angles C4'-P-C4' energy: -156.291 flat angles P-C4'-P energy: -103.210 tors. eta vs tors. theta energy: -177.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -2215.892411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.892411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.892411 (E_RNA) where: Base-Base interactions energy: -1518.332 where: short stacking energy: -631.453 Base-Backbone interact. energy: -1.778 local terms energy: -695.781861 where: bonds (distance) C4'-P energy: -143.595 bonds (distance) P-C4' energy: -148.634 flat angles C4'-P-C4' energy: -149.969 flat angles P-C4'-P energy: -92.643 tors. eta vs tors. theta energy: -160.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1784.194614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.194614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.194614 (E_RNA) where: Base-Base interactions energy: -1172.464 where: short stacking energy: -510.189 Base-Backbone interact. energy: 0.272 local terms energy: -612.002492 where: bonds (distance) C4'-P energy: -117.127 bonds (distance) P-C4' energy: -155.954 flat angles C4'-P-C4' energy: -146.013 flat angles P-C4'-P energy: -79.463 tors. eta vs tors. theta energy: -113.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -1338.762225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.762225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.762225 (E_RNA) where: Base-Base interactions energy: -827.177 where: short stacking energy: -427.244 Base-Backbone interact. energy: 16.696 local terms energy: -528.281348 where: bonds (distance) C4'-P energy: -126.248 bonds (distance) P-C4' energy: -131.356 flat angles C4'-P-C4' energy: -132.367 flat angles P-C4'-P energy: -79.525 tors. eta vs tors. theta energy: -58.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -953.236521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.236521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.236521 (E_RNA) where: Base-Base interactions energy: -509.660 where: short stacking energy: -254.011 Base-Backbone interact. energy: 2.479 local terms energy: -446.055617 where: bonds (distance) C4'-P energy: -126.624 bonds (distance) P-C4' energy: -131.096 flat angles C4'-P-C4' energy: -128.111 flat angles P-C4'-P energy: -66.914 tors. eta vs tors. theta energy: 6.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -3060.535536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.535536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.535536 (E_RNA) where: Base-Base interactions energy: -2145.356 where: short stacking energy: -871.765 Base-Backbone interact. energy: -6.103 local terms energy: -909.076608 where: bonds (distance) C4'-P energy: -175.829 bonds (distance) P-C4' energy: -174.137 flat angles C4'-P-C4' energy: -190.540 flat angles P-C4'-P energy: -125.987 tors. eta vs tors. theta energy: -242.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2818.607984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.607984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.607984 (E_RNA) where: Base-Base interactions energy: -1973.077 where: short stacking energy: -819.616 Base-Backbone interact. energy: -3.010 local terms energy: -842.520677 where: bonds (distance) C4'-P energy: -151.630 bonds (distance) P-C4' energy: -155.051 flat angles C4'-P-C4' energy: -190.401 flat angles P-C4'-P energy: -115.472 tors. eta vs tors. theta energy: -229.967 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: 3, replica: 5 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2741.423276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.423276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.423276 (E_RNA) where: Base-Base interactions energy: -1938.949 where: short stacking energy: -782.129 Base-Backbone interact. energy: -4.856 local terms energy: -797.618361 where: bonds (distance) C4'-P energy: -132.882 bonds (distance) P-C4' energy: -167.806 flat angles C4'-P-C4' energy: -176.575 flat angles P-C4'-P energy: -108.068 tors. eta vs tors. theta energy: -212.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2651.952451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.952451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.952451 (E_RNA) where: Base-Base interactions energy: -1844.904 where: short stacking energy: -780.232 Base-Backbone interact. energy: -5.319 local terms energy: -801.729705 where: bonds (distance) C4'-P energy: -141.882 bonds (distance) P-C4' energy: -159.588 flat angles C4'-P-C4' energy: -177.878 flat angles P-C4'-P energy: -119.315 tors. eta vs tors. theta energy: -203.066 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: 8 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2422.744272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.744272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.744272 (E_RNA) where: Base-Base interactions energy: -1649.093 where: short stacking energy: -704.575 Base-Backbone interact. energy: -3.469 local terms energy: -770.182491 where: bonds (distance) C4'-P energy: -131.060 bonds (distance) P-C4' energy: -161.752 flat angles C4'-P-C4' energy: -166.689 flat angles P-C4'-P energy: -101.473 tors. eta vs tors. theta energy: -209.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -2330.778273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.778273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.778273 (E_RNA) where: Base-Base interactions energy: -1596.100 where: short stacking energy: -691.461 Base-Backbone interact. energy: -3.519 local terms energy: -731.160255 where: bonds (distance) C4'-P energy: -143.412 bonds (distance) P-C4' energy: -131.637 flat angles C4'-P-C4' energy: -165.888 flat angles P-C4'-P energy: -102.238 tors. eta vs tors. theta energy: -187.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -2238.313854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.313854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.313854 (E_RNA) where: Base-Base interactions energy: -1545.396 where: short stacking energy: -658.718 Base-Backbone interact. energy: -0.501 local terms energy: -692.417203 where: bonds (distance) C4'-P energy: -118.349 bonds (distance) P-C4' energy: -129.129 flat angles C4'-P-C4' energy: -156.938 flat angles P-C4'-P energy: -108.199 tors. eta vs tors. theta energy: -179.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1918.314649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.314649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.314649 (E_RNA) where: Base-Base interactions energy: -1309.714 where: short stacking energy: -550.068 Base-Backbone interact. energy: 1.580 local terms energy: -610.179750 where: bonds (distance) C4'-P energy: -116.087 bonds (distance) P-C4' energy: -130.694 flat angles C4'-P-C4' energy: -140.864 flat angles P-C4'-P energy: -84.896 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: 9, replica: 9 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -1312.230471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.230471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.230471 (E_RNA) where: Base-Base interactions energy: -798.342 where: short stacking energy: -388.064 Base-Backbone interact. energy: -2.356 local terms energy: -511.532416 where: bonds (distance) C4'-P energy: -117.849 bonds (distance) P-C4' energy: -142.238 flat angles C4'-P-C4' energy: -133.255 flat angles P-C4'-P energy: -65.308 tors. eta vs tors. theta energy: -52.883 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: 10 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -1044.185177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.185177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.185177 (E_RNA) where: Base-Base interactions energy: -597.109 where: short stacking energy: -275.457 Base-Backbone interact. energy: 4.524 local terms energy: -451.600522 where: bonds (distance) C4'-P energy: -130.125 bonds (distance) P-C4' energy: -127.530 flat angles C4'-P-C4' energy: -119.554 flat angles P-C4'-P energy: -75.263 tors. eta vs tors. theta energy: 0.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -3075.516420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.516420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.516420 (E_RNA) where: Base-Base interactions energy: -2189.430 where: short stacking energy: -868.902 Base-Backbone interact. energy: -2.867 local terms energy: -883.219778 where: bonds (distance) C4'-P energy: -151.656 bonds (distance) P-C4' energy: -169.361 flat angles C4'-P-C4' energy: -193.732 flat angles P-C4'-P energy: -118.583 tors. eta vs tors. theta energy: -249.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2844.867572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.867572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.867572 (E_RNA) where: Base-Base interactions energy: -1988.007 where: short stacking energy: -805.452 Base-Backbone interact. energy: -2.233 local terms energy: -854.627683 where: bonds (distance) C4'-P energy: -149.297 bonds (distance) P-C4' energy: -163.316 flat angles C4'-P-C4' energy: -188.550 flat angles P-C4'-P energy: -129.865 tors. eta vs tors. theta energy: -223.599 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: 5 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2744.831124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.831124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.831124 (E_RNA) where: Base-Base interactions energy: -1910.204 where: short stacking energy: -754.722 Base-Backbone interact. energy: -3.398 local terms energy: -831.229236 where: bonds (distance) C4'-P energy: -156.228 bonds (distance) P-C4' energy: -173.313 flat angles C4'-P-C4' energy: -174.456 flat angles P-C4'-P energy: -122.443 tors. eta vs tors. theta energy: -204.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2590.650024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.650024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.650024 (E_RNA) where: Base-Base interactions energy: -1792.235 where: short stacking energy: -741.287 Base-Backbone interact. energy: -7.153 local terms energy: -791.261347 where: bonds (distance) C4'-P energy: -139.771 bonds (distance) P-C4' energy: -162.352 flat angles C4'-P-C4' energy: -178.583 flat angles P-C4'-P energy: -102.033 tors. eta vs tors. theta energy: -208.522 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: 5, replica: 8 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -2452.997635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.997635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.997635 (E_RNA) where: Base-Base interactions energy: -1685.007 where: short stacking energy: -704.418 Base-Backbone interact. energy: -2.324 local terms energy: -765.666699 where: bonds (distance) C4'-P energy: -143.295 bonds (distance) P-C4' energy: -158.057 flat angles C4'-P-C4' energy: -164.075 flat angles P-C4'-P energy: -109.533 tors. eta vs tors. theta energy: -190.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -2315.513132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.513132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.513132 (E_RNA) where: Base-Base interactions energy: -1581.319 where: short stacking energy: -667.200 Base-Backbone interact. energy: 6.032 local terms energy: -740.225799 where: bonds (distance) C4'-P energy: -132.742 bonds (distance) P-C4' energy: -154.482 flat angles C4'-P-C4' energy: -168.067 flat angles P-C4'-P energy: -101.997 tors. eta vs tors. theta energy: -182.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -2214.182878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.182878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.182878 (E_RNA) where: Base-Base interactions energy: -1534.726 where: short stacking energy: -631.564 Base-Backbone interact. energy: -0.159 local terms energy: -679.297774 where: bonds (distance) C4'-P energy: -127.432 bonds (distance) P-C4' energy: -120.666 flat angles C4'-P-C4' energy: -152.019 flat angles P-C4'-P energy: -105.662 tors. eta vs tors. theta energy: -173.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1960.663384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.663384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.663384 (E_RNA) where: Base-Base interactions energy: -1360.201 where: short stacking energy: -596.149 Base-Backbone interact. energy: -0.486 local terms energy: -599.976357 where: bonds (distance) C4'-P energy: -118.903 bonds (distance) P-C4' energy: -125.447 flat angles C4'-P-C4' energy: -117.985 flat angles P-C4'-P energy: -105.619 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: 9, replica: 9 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -1376.215330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.215330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.215330 (E_RNA) where: Base-Base interactions energy: -833.323 where: short stacking energy: -395.274 Base-Backbone interact. energy: -0.410 local terms energy: -542.482934 where: bonds (distance) C4'-P energy: -127.121 bonds (distance) P-C4' energy: -149.821 flat angles C4'-P-C4' energy: -124.523 flat angles P-C4'-P energy: -84.144 tors. eta vs tors. theta energy: -56.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -981.533966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.533966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.533966 (E_RNA) where: Base-Base interactions energy: -507.839 where: short stacking energy: -273.536 Base-Backbone interact. energy: 1.256 local terms energy: -474.950983 where: bonds (distance) C4'-P energy: -145.545 bonds (distance) P-C4' energy: -132.886 flat angles C4'-P-C4' energy: -100.288 flat angles P-C4'-P energy: -87.875 tors. eta vs tors. theta energy: -8.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -3053.961168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.961168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.961168 (E_RNA) where: Base-Base interactions energy: -2170.114 where: short stacking energy: -881.408 Base-Backbone interact. energy: -4.319 local terms energy: -879.527756 where: bonds (distance) C4'-P energy: -160.818 bonds (distance) P-C4' energy: -152.842 flat angles C4'-P-C4' energy: -185.547 flat angles P-C4'-P energy: -134.321 tors. eta vs tors. theta energy: -246.000 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: 115 Temperature: 0.950000 Total energy: -2869.560194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.560194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.560194 (E_RNA) where: Base-Base interactions energy: -2009.265 where: short stacking energy: -824.052 Base-Backbone interact. energy: -4.004 local terms energy: -856.291117 where: bonds (distance) C4'-P energy: -137.237 bonds (distance) P-C4' energy: -175.605 flat angles C4'-P-C4' energy: -180.882 flat angles P-C4'-P energy: -133.885 tors. eta vs tors. theta energy: -228.682 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: 5 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2712.627248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.627248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.627248 (E_RNA) where: Base-Base interactions energy: -1903.214 where: short stacking energy: -754.563 Base-Backbone interact. energy: -1.263 local terms energy: -808.150001 where: bonds (distance) C4'-P energy: -155.773 bonds (distance) P-C4' energy: -156.324 flat angles C4'-P-C4' energy: -172.671 flat angles P-C4'-P energy: -123.747 tors. eta vs tors. theta energy: -199.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2524.186586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.186586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.186586 (E_RNA) where: Base-Base interactions energy: -1739.873 where: short stacking energy: -733.439 Base-Backbone interact. energy: -1.521 local terms energy: -782.792926 where: bonds (distance) C4'-P energy: -147.197 bonds (distance) P-C4' energy: -153.746 flat angles C4'-P-C4' energy: -162.953 flat angles P-C4'-P energy: -109.868 tors. eta vs tors. theta energy: -209.029 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: 115 Temperature: 1.100000 Total energy: -2509.733233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.733233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.733233 (E_RNA) where: Base-Base interactions energy: -1770.669 where: short stacking energy: -732.973 Base-Backbone interact. energy: -4.801 local terms energy: -734.263297 where: bonds (distance) C4'-P energy: -139.276 bonds (distance) P-C4' energy: -151.938 flat angles C4'-P-C4' energy: -152.155 flat angles P-C4'-P energy: -106.329 tors. eta vs tors. theta energy: -184.565 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: 6 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -2351.044615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.044615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.044615 (E_RNA) where: Base-Base interactions energy: -1598.563 where: short stacking energy: -656.463 Base-Backbone interact. energy: -4.578 local terms energy: -747.904521 where: bonds (distance) C4'-P energy: -150.300 bonds (distance) P-C4' energy: -161.633 flat angles C4'-P-C4' energy: -150.501 flat angles P-C4'-P energy: -119.255 tors. eta vs tors. theta energy: -166.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -2225.838653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.838653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.838653 (E_RNA) where: Base-Base interactions energy: -1526.256 where: short stacking energy: -655.169 Base-Backbone interact. energy: -4.526 local terms energy: -695.056633 where: bonds (distance) C4'-P energy: -112.939 bonds (distance) P-C4' energy: -155.167 flat angles C4'-P-C4' energy: -165.172 flat angles P-C4'-P energy: -90.603 tors. eta vs tors. theta energy: -171.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1898.149405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.149405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.149405 (E_RNA) where: Base-Base interactions energy: -1280.437 where: short stacking energy: -553.262 Base-Backbone interact. energy: 2.343 local terms energy: -620.055466 where: bonds (distance) C4'-P energy: -126.209 bonds (distance) P-C4' energy: -126.054 flat angles C4'-P-C4' energy: -131.640 flat angles P-C4'-P energy: -99.298 tors. eta vs tors. theta energy: -136.855 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: 115 Temperature: 1.300000 Total energy: -1361.966856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.966856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.966856 (E_RNA) where: Base-Base interactions energy: -839.544 where: short stacking energy: -370.836 Base-Backbone interact. energy: -2.151 local terms energy: -520.272253 where: bonds (distance) C4'-P energy: -122.281 bonds (distance) P-C4' energy: -146.164 flat angles C4'-P-C4' energy: -139.104 flat angles P-C4'-P energy: -60.537 tors. eta vs tors. theta energy: -52.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -1056.456402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.456402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.456402 (E_RNA) where: Base-Base interactions energy: -566.909 where: short stacking energy: -291.190 Base-Backbone interact. energy: 1.417 local terms energy: -490.964447 where: bonds (distance) C4'-P energy: -129.762 bonds (distance) P-C4' energy: -154.207 flat angles C4'-P-C4' energy: -125.259 flat angles P-C4'-P energy: -57.539 tors. eta vs tors. theta energy: -24.198 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: 1, replica: 3 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -3062.287567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.287567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.287567 (E_RNA) where: Base-Base interactions energy: -2168.119 where: short stacking energy: -888.125 Base-Backbone interact. energy: -3.221 local terms energy: -890.947916 where: bonds (distance) C4'-P energy: -158.803 bonds (distance) P-C4' energy: -162.705 flat angles C4'-P-C4' energy: -181.533 flat angles P-C4'-P energy: -124.401 tors. eta vs tors. theta energy: -263.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2826.919126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.919126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.919126 (E_RNA) where: Base-Base interactions energy: -1992.111 where: short stacking energy: -807.561 Base-Backbone interact. energy: -1.971 local terms energy: -832.837771 where: bonds (distance) C4'-P energy: -140.043 bonds (distance) P-C4' energy: -172.625 flat angles C4'-P-C4' energy: -178.785 flat angles P-C4'-P energy: -114.943 tors. eta vs tors. theta energy: -226.441 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: 5 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2739.453996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.453996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.453996 (E_RNA) where: Base-Base interactions energy: -1934.454 where: short stacking energy: -770.295 Base-Backbone interact. energy: -2.585 local terms energy: -802.415332 where: bonds (distance) C4'-P energy: -144.349 bonds (distance) P-C4' energy: -170.464 flat angles C4'-P-C4' energy: -174.788 flat angles P-C4'-P energy: -111.439 tors. eta vs tors. theta energy: -201.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2503.457568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.457568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.457568 (E_RNA) where: Base-Base interactions energy: -1716.240 where: short stacking energy: -735.421 Base-Backbone interact. energy: 0.038 local terms energy: -787.255031 where: bonds (distance) C4'-P energy: -150.931 bonds (distance) P-C4' energy: -156.497 flat angles C4'-P-C4' energy: -178.150 flat angles P-C4'-P energy: -102.596 tors. eta vs tors. theta energy: -199.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -2468.098518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.098518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.098518 (E_RNA) where: Base-Base interactions energy: -1722.170 where: short stacking energy: -724.148 Base-Backbone interact. energy: -4.060 local terms energy: -741.868623 where: bonds (distance) C4'-P energy: -130.384 bonds (distance) P-C4' energy: -162.043 flat angles C4'-P-C4' energy: -155.046 flat angles P-C4'-P energy: -99.946 tors. eta vs tors. theta energy: -194.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -2310.163095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.163095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.163095 (E_RNA) where: Base-Base interactions energy: -1583.874 where: short stacking energy: -673.478 Base-Backbone interact. energy: -2.824 local terms energy: -723.464773 where: bonds (distance) C4'-P energy: -118.633 bonds (distance) P-C4' energy: -163.273 flat angles C4'-P-C4' energy: -169.528 flat angles P-C4'-P energy: -100.633 tors. eta vs tors. theta energy: -171.398 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: 7 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -2214.218845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.218845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.218845 (E_RNA) where: Base-Base interactions energy: -1534.921 where: short stacking energy: -648.261 Base-Backbone interact. energy: -2.221 local terms energy: -677.076817 where: bonds (distance) C4'-P energy: -142.318 bonds (distance) P-C4' energy: -115.630 flat angles C4'-P-C4' energy: -158.180 flat angles P-C4'-P energy: -94.762 tors. eta vs tors. theta energy: -166.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1820.905492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.905492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.905492 (E_RNA) where: Base-Base interactions energy: -1212.201 where: short stacking energy: -497.502 Base-Backbone interact. energy: 5.529 local terms energy: -614.233922 where: bonds (distance) C4'-P energy: -136.802 bonds (distance) P-C4' energy: -150.331 flat angles C4'-P-C4' energy: -125.482 flat angles P-C4'-P energy: -97.807 tors. eta vs tors. theta energy: -103.812 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: 116 Temperature: 1.300000 Total energy: -1390.770692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.770692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.770692 (E_RNA) where: Base-Base interactions energy: -855.925 where: short stacking energy: -363.873 Base-Backbone interact. energy: -1.816 local terms energy: -533.028930 where: bonds (distance) C4'-P energy: -134.320 bonds (distance) P-C4' energy: -133.504 flat angles C4'-P-C4' energy: -123.025 flat angles P-C4'-P energy: -84.192 tors. eta vs tors. theta energy: -57.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -1019.606040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.606040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.606040 (E_RNA) where: Base-Base interactions energy: -545.142 where: short stacking energy: -294.944 Base-Backbone interact. energy: -2.959 local terms energy: -471.504199 where: bonds (distance) C4'-P energy: -125.742 bonds (distance) P-C4' energy: -154.015 flat angles C4'-P-C4' energy: -110.588 flat angles P-C4'-P energy: -73.724 tors. eta vs tors. theta energy: -7.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -3065.506117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.506117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.506117 (E_RNA) where: Base-Base interactions energy: -2172.409 where: short stacking energy: -885.256 Base-Backbone interact. energy: -1.721 local terms energy: -891.376200 where: bonds (distance) C4'-P energy: -162.817 bonds (distance) P-C4' energy: -159.026 flat angles C4'-P-C4' energy: -190.388 flat angles P-C4'-P energy: -131.951 tors. eta vs tors. theta energy: -247.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2850.569691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.569691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.569691 (E_RNA) where: Base-Base interactions energy: -1975.792 where: short stacking energy: -800.131 Base-Backbone interact. energy: -5.181 local terms energy: -869.596175 where: bonds (distance) C4'-P energy: -163.452 bonds (distance) P-C4' energy: -164.551 flat angles C4'-P-C4' energy: -190.250 flat angles P-C4'-P energy: -123.369 tors. eta vs tors. theta energy: -227.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2704.735845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.735845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.735845 (E_RNA) where: Base-Base interactions energy: -1895.418 where: short stacking energy: -745.176 Base-Backbone interact. energy: -4.059 local terms energy: -805.258772 where: bonds (distance) C4'-P energy: -155.368 bonds (distance) P-C4' energy: -173.658 flat angles C4'-P-C4' energy: -153.455 flat angles P-C4'-P energy: -127.857 tors. eta vs tors. theta energy: -194.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2563.789033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.789033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.789033 (E_RNA) where: Base-Base interactions energy: -1795.207 where: short stacking energy: -743.538 Base-Backbone interact. energy: -4.491 local terms energy: -764.091568 where: bonds (distance) C4'-P energy: -126.453 bonds (distance) P-C4' energy: -143.317 flat angles C4'-P-C4' energy: -166.621 flat angles P-C4'-P energy: -122.194 tors. eta vs tors. theta energy: -205.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2474.454837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.454837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.454837 (E_RNA) where: Base-Base interactions energy: -1693.980 where: short stacking energy: -711.158 Base-Backbone interact. energy: -2.629 local terms energy: -777.845664 where: bonds (distance) C4'-P energy: -148.137 bonds (distance) P-C4' energy: -165.296 flat angles C4'-P-C4' energy: -151.554 flat angles P-C4'-P energy: -109.823 tors. eta vs tors. theta energy: -203.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -2333.119432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.119432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.119432 (E_RNA) where: Base-Base interactions energy: -1579.373 where: short stacking energy: -684.336 Base-Backbone interact. energy: 2.390 local terms energy: -756.136360 where: bonds (distance) C4'-P energy: -142.530 bonds (distance) P-C4' energy: -162.992 flat angles C4'-P-C4' energy: -153.761 flat angles P-C4'-P energy: -104.181 tors. eta vs tors. theta energy: -192.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -2224.528505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.528505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.528505 (E_RNA) where: Base-Base interactions energy: -1527.459 where: short stacking energy: -624.793 Base-Backbone interact. energy: -3.321 local terms energy: -693.748391 where: bonds (distance) C4'-P energy: -145.180 bonds (distance) P-C4' energy: -139.859 flat angles C4'-P-C4' energy: -142.408 flat angles P-C4'-P energy: -111.969 tors. eta vs tors. theta energy: -154.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1832.734329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.734329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.734329 (E_RNA) where: Base-Base interactions energy: -1218.855 where: short stacking energy: -528.979 Base-Backbone interact. energy: -0.506 local terms energy: -613.372674 where: bonds (distance) C4'-P energy: -115.265 bonds (distance) P-C4' energy: -142.170 flat angles C4'-P-C4' energy: -154.356 flat angles P-C4'-P energy: -95.862 tors. eta vs tors. theta energy: -105.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -1412.341879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.341879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.341879 (E_RNA) where: Base-Base interactions energy: -859.990 where: short stacking energy: -436.520 Base-Backbone interact. energy: 3.970 local terms energy: -556.322423 where: bonds (distance) C4'-P energy: -107.152 bonds (distance) P-C4' energy: -162.519 flat angles C4'-P-C4' energy: -135.047 flat angles P-C4'-P energy: -71.005 tors. eta vs tors. theta energy: -80.600 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: 10 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -957.964804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.964804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.964804 (E_RNA) where: Base-Base interactions energy: -516.409 where: short stacking energy: -263.815 Base-Backbone interact. energy: 5.146 local terms energy: -447.103999 where: bonds (distance) C4'-P energy: -143.715 bonds (distance) P-C4' energy: -122.004 flat angles C4'-P-C4' energy: -91.781 flat angles P-C4'-P energy: -78.392 tors. eta vs tors. theta energy: -11.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.402 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -3030.777231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.777231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.777231 (E_RNA) where: Base-Base interactions energy: -2148.385 where: short stacking energy: -838.880 Base-Backbone interact. energy: -6.107 local terms energy: -876.285308 where: bonds (distance) C4'-P energy: -148.809 bonds (distance) P-C4' energy: -180.548 flat angles C4'-P-C4' energy: -189.132 flat angles P-C4'-P energy: -129.404 tors. eta vs tors. theta energy: -228.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2843.416235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.416235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.416235 (E_RNA) where: Base-Base interactions energy: -1987.436 where: short stacking energy: -813.212 Base-Backbone interact. energy: -0.246 local terms energy: -855.733361 where: bonds (distance) C4'-P energy: -148.262 bonds (distance) P-C4' energy: -169.616 flat angles C4'-P-C4' energy: -189.039 flat angles P-C4'-P energy: -118.241 tors. eta vs tors. theta energy: -230.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2720.966213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.966213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.966213 (E_RNA) where: Base-Base interactions energy: -1915.697 where: short stacking energy: -757.089 Base-Backbone interact. energy: -2.225 local terms energy: -803.043954 where: bonds (distance) C4'-P energy: -160.858 bonds (distance) P-C4' energy: -166.625 flat angles C4'-P-C4' energy: -182.017 flat angles P-C4'-P energy: -107.287 tors. eta vs tors. theta energy: -186.258 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: 4 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2554.989806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.989806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.989806 (E_RNA) where: Base-Base interactions energy: -1790.211 where: short stacking energy: -776.410 Base-Backbone interact. energy: -1.802 local terms energy: -762.976463 where: bonds (distance) C4'-P energy: -139.001 bonds (distance) P-C4' energy: -160.111 flat angles C4'-P-C4' energy: -154.384 flat angles P-C4'-P energy: -102.721 tors. eta vs tors. theta energy: -206.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -2464.470515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.470515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.470515 (E_RNA) where: Base-Base interactions energy: -1661.155 where: short stacking energy: -717.344 Base-Backbone interact. energy: -2.442 local terms energy: -800.872751 where: bonds (distance) C4'-P energy: -144.198 bonds (distance) P-C4' energy: -176.722 flat angles C4'-P-C4' energy: -169.377 flat angles P-C4'-P energy: -123.378 tors. eta vs tors. theta energy: -187.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -2311.394141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.394141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.394141 (E_RNA) where: Base-Base interactions energy: -1613.960 where: short stacking energy: -667.556 Base-Backbone interact. energy: 0.808 local terms energy: -698.241922 where: bonds (distance) C4'-P energy: -141.144 bonds (distance) P-C4' energy: -143.463 flat angles C4'-P-C4' energy: -150.442 flat angles P-C4'-P energy: -99.719 tors. eta vs tors. theta energy: -163.474 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: 118 Temperature: 1.200000 Total energy: -2122.813471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.813471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.813471 (E_RNA) where: Base-Base interactions energy: -1424.135 where: short stacking energy: -616.583 Base-Backbone interact. energy: -2.549 local terms energy: -696.129060 where: bonds (distance) C4'-P energy: -131.272 bonds (distance) P-C4' energy: -147.647 flat angles C4'-P-C4' energy: -147.272 flat angles P-C4'-P energy: -104.142 tors. eta vs tors. theta energy: -165.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1873.040010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.040010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.040010 (E_RNA) where: Base-Base interactions energy: -1247.432 where: short stacking energy: -538.029 Base-Backbone interact. energy: -2.448 local terms energy: -623.160026 where: bonds (distance) C4'-P energy: -134.061 bonds (distance) P-C4' energy: -137.842 flat angles C4'-P-C4' energy: -144.528 flat angles P-C4'-P energy: -79.739 tors. eta vs tors. theta energy: -126.991 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: 118 Temperature: 1.300000 Total energy: -1337.234851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.234851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.234851 (E_RNA) where: Base-Base interactions energy: -797.707 where: short stacking energy: -344.241 Base-Backbone interact. energy: 0.970 local terms energy: -540.498299 where: bonds (distance) C4'-P energy: -131.503 bonds (distance) P-C4' energy: -149.378 flat angles C4'-P-C4' energy: -114.933 flat angles P-C4'-P energy: -92.866 tors. eta vs tors. theta energy: -51.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -950.519022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.519022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.519022 (E_RNA) where: Base-Base interactions energy: -483.934 where: short stacking energy: -274.353 Base-Backbone interact. energy: 1.304 local terms energy: -467.888263 where: bonds (distance) C4'-P energy: -124.073 bonds (distance) P-C4' energy: -144.755 flat angles C4'-P-C4' energy: -114.736 flat angles P-C4'-P energy: -71.457 tors. eta vs tors. theta energy: -12.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -3047.167622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.167622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.167622 (E_RNA) where: Base-Base interactions energy: -2136.918 where: short stacking energy: -845.442 Base-Backbone interact. energy: 2.933 local terms energy: -913.182284 where: bonds (distance) C4'-P energy: -169.639 bonds (distance) P-C4' energy: -177.970 flat angles C4'-P-C4' energy: -187.636 flat angles P-C4'-P energy: -137.342 tors. eta vs tors. theta energy: -240.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2861.059662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.059662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.059662 (E_RNA) where: Base-Base interactions energy: -1999.160 where: short stacking energy: -839.716 Base-Backbone interact. energy: -3.693 local terms energy: -858.206484 where: bonds (distance) C4'-P energy: -156.467 bonds (distance) P-C4' energy: -155.530 flat angles C4'-P-C4' energy: -198.303 flat angles P-C4'-P energy: -123.253 tors. eta vs tors. theta energy: -224.652 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: 5 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2719.688925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.688925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.688925 (E_RNA) where: Base-Base interactions energy: -1929.710 where: short stacking energy: -796.780 Base-Backbone interact. energy: 0.838 local terms energy: -790.817013 where: bonds (distance) C4'-P energy: -142.082 bonds (distance) P-C4' energy: -158.272 flat angles C4'-P-C4' energy: -169.747 flat angles P-C4'-P energy: -109.723 tors. eta vs tors. theta energy: -210.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2558.119995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.119995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.119995 (E_RNA) where: Base-Base interactions energy: -1715.197 where: short stacking energy: -732.132 Base-Backbone interact. energy: -3.458 local terms energy: -839.464603 where: bonds (distance) C4'-P energy: -171.280 bonds (distance) P-C4' energy: -153.099 flat angles C4'-P-C4' energy: -180.164 flat angles P-C4'-P energy: -128.282 tors. eta vs tors. theta energy: -206.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -2437.489670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.489670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.489670 (E_RNA) where: Base-Base interactions energy: -1690.892 where: short stacking energy: -719.697 Base-Backbone interact. energy: -3.539 local terms energy: -743.058396 where: bonds (distance) C4'-P energy: -141.164 bonds (distance) P-C4' energy: -146.514 flat angles C4'-P-C4' energy: -161.395 flat angles P-C4'-P energy: -97.378 tors. eta vs tors. theta energy: -196.607 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: 7 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -2333.270352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.270352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.270352 (E_RNA) where: Base-Base interactions energy: -1641.088 where: short stacking energy: -673.326 Base-Backbone interact. energy: -2.922 local terms energy: -689.260451 where: bonds (distance) C4'-P energy: -140.740 bonds (distance) P-C4' energy: -120.414 flat angles C4'-P-C4' energy: -149.897 flat angles P-C4'-P energy: -93.801 tors. eta vs tors. theta energy: -184.408 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: 119 Temperature: 1.200000 Total energy: -2050.979879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.979879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.979879 (E_RNA) where: Base-Base interactions energy: -1388.261 where: short stacking energy: -593.295 Base-Backbone interact. energy: -0.999 local terms energy: -661.720001 where: bonds (distance) C4'-P energy: -133.228 bonds (distance) P-C4' energy: -143.376 flat angles C4'-P-C4' energy: -151.699 flat angles P-C4'-P energy: -86.282 tors. eta vs tors. theta energy: -147.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1873.989220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.989220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.989220 (E_RNA) where: Base-Base interactions energy: -1252.326 where: short stacking energy: -538.182 Base-Backbone interact. energy: 1.428 local terms energy: -623.091620 where: bonds (distance) C4'-P energy: -141.571 bonds (distance) P-C4' energy: -136.963 flat angles C4'-P-C4' energy: -123.231 flat angles P-C4'-P energy: -80.961 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: 9, replica: 9 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -1360.739868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.739868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.739868 (E_RNA) where: Base-Base interactions energy: -828.886 where: short stacking energy: -406.541 Base-Backbone interact. energy: -0.966 local terms energy: -530.888785 where: bonds (distance) C4'-P energy: -130.296 bonds (distance) P-C4' energy: -141.473 flat angles C4'-P-C4' energy: -125.446 flat angles P-C4'-P energy: -82.477 tors. eta vs tors. theta energy: -51.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -980.092565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.092565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.092565 (E_RNA) where: Base-Base interactions energy: -520.212 where: short stacking energy: -281.009 Base-Backbone interact. energy: 1.456 local terms energy: -461.336583 where: bonds (distance) C4'-P energy: -122.429 bonds (distance) P-C4' energy: -133.951 flat angles C4'-P-C4' energy: -130.893 flat angles P-C4'-P energy: -49.643 tors. eta vs tors. theta energy: -24.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -3036.568889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.568889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.568889 (E_RNA) where: Base-Base interactions energy: -2164.441 where: short stacking energy: -870.705 Base-Backbone interact. energy: -5.626 local terms energy: -866.501697 where: bonds (distance) C4'-P energy: -148.151 bonds (distance) P-C4' energy: -177.217 flat angles C4'-P-C4' energy: -180.366 flat angles P-C4'-P energy: -127.463 tors. eta vs tors. theta energy: -233.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2841.899032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.899032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.899032 (E_RNA) where: Base-Base interactions energy: -1965.314 where: short stacking energy: -818.554 Base-Backbone interact. energy: -1.631 local terms energy: -874.953753 where: bonds (distance) C4'-P energy: -148.478 bonds (distance) P-C4' energy: -190.765 flat angles C4'-P-C4' energy: -170.861 flat angles P-C4'-P energy: -129.565 tors. eta vs tors. theta energy: -235.286 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: 5 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2755.306279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.306279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.306279 (E_RNA) where: Base-Base interactions energy: -1931.282 where: short stacking energy: -796.195 Base-Backbone interact. energy: 0.651 local terms energy: -824.676001 where: bonds (distance) C4'-P energy: -159.953 bonds (distance) P-C4' energy: -164.874 flat angles C4'-P-C4' energy: -176.231 flat angles P-C4'-P energy: -107.725 tors. eta vs tors. theta energy: -215.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2558.745513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.745513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.745513 (E_RNA) where: Base-Base interactions energy: -1772.821 where: short stacking energy: -726.265 Base-Backbone interact. energy: -2.400 local terms energy: -783.525027 where: bonds (distance) C4'-P energy: -159.571 bonds (distance) P-C4' energy: -149.064 flat angles C4'-P-C4' energy: -161.524 flat angles P-C4'-P energy: -111.880 tors. eta vs tors. theta energy: -201.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -2434.105164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.105164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.105164 (E_RNA) where: Base-Base interactions energy: -1689.779 where: short stacking energy: -721.947 Base-Backbone interact. energy: 1.048 local terms energy: -745.374620 where: bonds (distance) C4'-P energy: -133.564 bonds (distance) P-C4' energy: -163.069 flat angles C4'-P-C4' energy: -159.219 flat angles P-C4'-P energy: -100.769 tors. eta vs tors. theta energy: -188.753 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: 6, replica: 7 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -2404.593208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.593208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.593208 (E_RNA) where: Base-Base interactions energy: -1654.436 where: short stacking energy: -696.851 Base-Backbone interact. energy: -0.393 local terms energy: -749.764469 where: bonds (distance) C4'-P energy: -129.904 bonds (distance) P-C4' energy: -143.788 flat angles C4'-P-C4' energy: -170.957 flat angles P-C4'-P energy: -104.350 tors. eta vs tors. theta energy: -200.765 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: 7, replica: 6 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -2033.977618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.977618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.977618 (E_RNA) where: Base-Base interactions energy: -1339.688 where: short stacking energy: -596.912 Base-Backbone interact. energy: -0.111 local terms energy: -694.179025 where: bonds (distance) C4'-P energy: -134.971 bonds (distance) P-C4' energy: -138.755 flat angles C4'-P-C4' energy: -163.673 flat angles P-C4'-P energy: -99.945 tors. eta vs tors. theta energy: -156.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1755.608770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.608770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.608770 (E_RNA) where: Base-Base interactions energy: -1137.756 where: short stacking energy: -502.005 Base-Backbone interact. energy: 0.156 local terms energy: -618.007879 where: bonds (distance) C4'-P energy: -115.330 bonds (distance) P-C4' energy: -156.846 flat angles C4'-P-C4' energy: -139.997 flat angles P-C4'-P energy: -100.234 tors. eta vs tors. theta energy: -105.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -1305.353539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.353539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.353539 (E_RNA) where: Base-Base interactions energy: -809.377 where: short stacking energy: -388.928 Base-Backbone interact. energy: 4.315 local terms energy: -500.291543 where: bonds (distance) C4'-P energy: -128.389 bonds (distance) P-C4' energy: -95.142 flat angles C4'-P-C4' energy: -127.528 flat angles P-C4'-P energy: -93.813 tors. eta vs tors. theta energy: -55.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -938.940674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.940674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.940674 (E_RNA) where: Base-Base interactions energy: -522.262 where: short stacking energy: -298.314 Base-Backbone interact. energy: -0.188 local terms energy: -416.490755 where: bonds (distance) C4'-P energy: -109.951 bonds (distance) P-C4' energy: -122.135 flat angles C4'-P-C4' energy: -114.491 flat angles P-C4'-P energy: -68.880 tors. eta vs tors. theta energy: -1.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -3045.536808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.536808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.536808 (E_RNA) where: Base-Base interactions energy: -2157.252 where: short stacking energy: -865.311 Base-Backbone interact. energy: -5.192 local terms energy: -883.093359 where: bonds (distance) C4'-P energy: -157.832 bonds (distance) P-C4' energy: -165.918 flat angles C4'-P-C4' energy: -184.497 flat angles P-C4'-P energy: -136.498 tors. eta vs tors. theta energy: -238.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2835.704264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.704264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.704264 (E_RNA) where: Base-Base interactions energy: -1961.121 where: short stacking energy: -799.971 Base-Backbone interact. energy: 3.093 local terms energy: -877.676545 where: bonds (distance) C4'-P energy: -170.718 bonds (distance) P-C4' energy: -167.121 flat angles C4'-P-C4' energy: -183.395 flat angles P-C4'-P energy: -129.921 tors. eta vs tors. theta energy: -226.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2763.042736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.042736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.042736 (E_RNA) where: Base-Base interactions energy: -1960.607 where: short stacking energy: -770.064 Base-Backbone interact. energy: -0.379 local terms energy: -802.056093 where: bonds (distance) C4'-P energy: -144.452 bonds (distance) P-C4' energy: -168.968 flat angles C4'-P-C4' energy: -172.877 flat angles P-C4'-P energy: -117.829 tors. eta vs tors. theta energy: -197.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2565.277622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.277622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.277622 (E_RNA) where: Base-Base interactions energy: -1783.707 where: short stacking energy: -754.037 Base-Backbone interact. energy: -0.682 local terms energy: -780.888992 where: bonds (distance) C4'-P energy: -153.722 bonds (distance) P-C4' energy: -146.447 flat angles C4'-P-C4' energy: -169.567 flat angles P-C4'-P energy: -116.747 tors. eta vs tors. theta energy: -194.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -2438.126596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.126596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.126596 (E_RNA) where: Base-Base interactions energy: -1675.056 where: short stacking energy: -704.145 Base-Backbone interact. energy: 1.368 local terms energy: -764.438824 where: bonds (distance) C4'-P energy: -124.830 bonds (distance) P-C4' energy: -156.998 flat angles C4'-P-C4' energy: -165.883 flat angles P-C4'-P energy: -122.147 tors. eta vs tors. theta energy: -194.582 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: 7 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -2425.300579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.300579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.300579 (E_RNA) where: Base-Base interactions energy: -1689.785 where: short stacking energy: -711.426 Base-Backbone interact. energy: -1.848 local terms energy: -733.667447 where: bonds (distance) C4'-P energy: -134.915 bonds (distance) P-C4' energy: -160.233 flat angles C4'-P-C4' energy: -156.026 flat angles P-C4'-P energy: -83.917 tors. eta vs tors. theta energy: -198.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -2065.914705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.914705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.914705 (E_RNA) where: Base-Base interactions energy: -1384.814 where: short stacking energy: -582.157 Base-Backbone interact. energy: 2.797 local terms energy: -683.897552 where: bonds (distance) C4'-P energy: -133.576 bonds (distance) P-C4' energy: -142.566 flat angles C4'-P-C4' energy: -151.613 flat angles P-C4'-P energy: -121.860 tors. eta vs tors. theta energy: -134.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1725.571871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.571871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.571871 (E_RNA) where: Base-Base interactions energy: -1127.040 where: short stacking energy: -498.154 Base-Backbone interact. energy: 4.579 local terms energy: -603.111116 where: bonds (distance) C4'-P energy: -146.091 bonds (distance) P-C4' energy: -142.286 flat angles C4'-P-C4' energy: -145.461 flat angles P-C4'-P energy: -67.733 tors. eta vs tors. theta energy: -101.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1349.396474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.396474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.396474 (E_RNA) where: Base-Base interactions energy: -803.154 where: short stacking energy: -389.739 Base-Backbone interact. energy: 4.383 local terms energy: -550.625015 where: bonds (distance) C4'-P energy: -122.898 bonds (distance) P-C4' energy: -136.315 flat angles C4'-P-C4' energy: -151.616 flat angles P-C4'-P energy: -77.897 tors. eta vs tors. theta energy: -61.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -907.644121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.644121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.644121 (E_RNA) where: Base-Base interactions energy: -463.140 where: short stacking energy: -271.849 Base-Backbone interact. energy: 4.082 local terms energy: -448.585846 where: bonds (distance) C4'-P energy: -106.961 bonds (distance) P-C4' energy: -146.356 flat angles C4'-P-C4' energy: -118.666 flat angles P-C4'-P energy: -76.468 tors. eta vs tors. theta energy: -0.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -3085.978015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.978015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.978015 (E_RNA) where: Base-Base interactions energy: -2183.982 where: short stacking energy: -865.947 Base-Backbone interact. energy: 0.591 local terms energy: -902.586393 where: bonds (distance) C4'-P energy: -170.706 bonds (distance) P-C4' energy: -172.704 flat angles C4'-P-C4' energy: -183.084 flat angles P-C4'-P energy: -137.114 tors. eta vs tors. theta energy: -238.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2880.158153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.158153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.158153 (E_RNA) where: Base-Base interactions energy: -1993.050 where: short stacking energy: -832.825 Base-Backbone interact. energy: -0.950 local terms energy: -886.158149 where: bonds (distance) C4'-P energy: -165.575 bonds (distance) P-C4' energy: -175.809 flat angles C4'-P-C4' energy: -181.827 flat angles P-C4'-P energy: -111.935 tors. eta vs tors. theta energy: -251.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2713.213714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.213714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.213714 (E_RNA) where: Base-Base interactions energy: -1925.458 where: short stacking energy: -754.842 Base-Backbone interact. energy: -0.578 local terms energy: -787.177942 where: bonds (distance) C4'-P energy: -150.537 bonds (distance) P-C4' energy: -148.120 flat angles C4'-P-C4' energy: -183.004 flat angles P-C4'-P energy: -115.160 tors. eta vs tors. theta energy: -190.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2592.804108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.804108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.804108 (E_RNA) where: Base-Base interactions energy: -1803.606 where: short stacking energy: -754.871 Base-Backbone interact. energy: -1.294 local terms energy: -787.904193 where: bonds (distance) C4'-P energy: -138.900 bonds (distance) P-C4' energy: -145.266 flat angles C4'-P-C4' energy: -171.637 flat angles P-C4'-P energy: -111.076 tors. eta vs tors. theta energy: -221.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -2438.018769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.018769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.018769 (E_RNA) where: Base-Base interactions energy: -1732.784 where: short stacking energy: -750.176 Base-Backbone interact. energy: 0.263 local terms energy: -705.498608 where: bonds (distance) C4'-P energy: -123.432 bonds (distance) P-C4' energy: -123.455 flat angles C4'-P-C4' energy: -152.823 flat angles P-C4'-P energy: -103.432 tors. eta vs tors. theta energy: -202.356 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: 6, replica: 7 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -2361.943615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.943615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.943615 (E_RNA) where: Base-Base interactions energy: -1632.442 where: short stacking energy: -697.247 Base-Backbone interact. energy: -4.720 local terms energy: -724.781080 where: bonds (distance) C4'-P energy: -132.654 bonds (distance) P-C4' energy: -137.545 flat angles C4'-P-C4' energy: -159.365 flat angles P-C4'-P energy: -102.305 tors. eta vs tors. theta energy: -192.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -2112.448487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.448487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.448487 (E_RNA) where: Base-Base interactions energy: -1451.089 where: short stacking energy: -631.884 Base-Backbone interact. energy: -4.424 local terms energy: -656.935277 where: bonds (distance) C4'-P energy: -126.648 bonds (distance) P-C4' energy: -134.308 flat angles C4'-P-C4' energy: -147.925 flat angles P-C4'-P energy: -92.643 tors. eta vs tors. theta energy: -155.413 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: 8, replica: 2 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1727.866884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.866884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.866884 (E_RNA) where: Base-Base interactions energy: -1108.033 where: short stacking energy: -499.052 Base-Backbone interact. energy: -3.928 local terms energy: -615.906605 where: bonds (distance) C4'-P energy: -132.866 bonds (distance) P-C4' energy: -158.762 flat angles C4'-P-C4' energy: -138.595 flat angles P-C4'-P energy: -83.146 tors. eta vs tors. theta energy: -102.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -1294.092074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.092074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.092074 (E_RNA) where: Base-Base interactions energy: -781.983 where: short stacking energy: -359.191 Base-Backbone interact. energy: 2.898 local terms energy: -515.006855 where: bonds (distance) C4'-P energy: -122.740 bonds (distance) P-C4' energy: -153.094 flat angles C4'-P-C4' energy: -133.481 flat angles P-C4'-P energy: -79.705 tors. eta vs tors. theta energy: -25.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -923.313099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.313099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.313099 (E_RNA) where: Base-Base interactions energy: -463.320 where: short stacking energy: -256.768 Base-Backbone interact. energy: -1.199 local terms energy: -458.793878 where: bonds (distance) C4'-P energy: -127.327 bonds (distance) P-C4' energy: -153.583 flat angles C4'-P-C4' energy: -99.378 flat angles P-C4'-P energy: -73.052 tors. eta vs tors. theta energy: -5.454 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: 123 Temperature: 0.900000 Total energy: -3052.448727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.448727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.448727 (E_RNA) where: Base-Base interactions energy: -2150.763 where: short stacking energy: -861.293 Base-Backbone interact. energy: -3.413 local terms energy: -898.272929 where: bonds (distance) C4'-P energy: -141.049 bonds (distance) P-C4' energy: -183.921 flat angles C4'-P-C4' energy: -201.209 flat angles P-C4'-P energy: -127.922 tors. eta vs tors. theta energy: -244.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2846.792914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.792914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.792914 (E_RNA) where: Base-Base interactions energy: -1987.501 where: short stacking energy: -835.004 Base-Backbone interact. energy: -4.909 local terms energy: -854.382558 where: bonds (distance) C4'-P energy: -144.038 bonds (distance) P-C4' energy: -146.525 flat angles C4'-P-C4' energy: -186.707 flat angles P-C4'-P energy: -133.279 tors. eta vs tors. theta energy: -243.835 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: 5 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2730.324727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.324727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.324727 (E_RNA) where: Base-Base interactions energy: -1923.780 where: short stacking energy: -760.274 Base-Backbone interact. energy: -0.731 local terms energy: -805.814047 where: bonds (distance) C4'-P energy: -145.340 bonds (distance) P-C4' energy: -166.999 flat angles C4'-P-C4' energy: -179.073 flat angles P-C4'-P energy: -118.281 tors. eta vs tors. theta energy: -196.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2587.476344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.476344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.476344 (E_RNA) where: Base-Base interactions energy: -1777.681 where: short stacking energy: -745.395 Base-Backbone interact. energy: 0.207 local terms energy: -810.002463 where: bonds (distance) C4'-P energy: -146.260 bonds (distance) P-C4' energy: -164.146 flat angles C4'-P-C4' energy: -173.732 flat angles P-C4'-P energy: -109.678 tors. eta vs tors. theta energy: -216.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -2456.585781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.585781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.585781 (E_RNA) where: Base-Base interactions energy: -1701.580 where: short stacking energy: -713.545 Base-Backbone interact. energy: -1.488 local terms energy: -753.517979 where: bonds (distance) C4'-P energy: -142.741 bonds (distance) P-C4' energy: -161.601 flat angles C4'-P-C4' energy: -157.863 flat angles P-C4'-P energy: -91.215 tors. eta vs tors. theta energy: -200.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -2378.881110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.881110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.881110 (E_RNA) where: Base-Base interactions energy: -1638.404 where: short stacking energy: -689.152 Base-Backbone interact. energy: 2.770 local terms energy: -743.246589 where: bonds (distance) C4'-P energy: -147.221 bonds (distance) P-C4' energy: -147.035 flat angles C4'-P-C4' energy: -152.102 flat angles P-C4'-P energy: -114.593 tors. eta vs tors. theta energy: -182.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -2154.925793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.925793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.925793 (E_RNA) where: Base-Base interactions energy: -1460.474 where: short stacking energy: -635.926 Base-Backbone interact. energy: -3.300 local terms energy: -691.152534 where: bonds (distance) C4'-P energy: -140.007 bonds (distance) P-C4' energy: -143.642 flat angles C4'-P-C4' energy: -140.865 flat angles P-C4'-P energy: -100.287 tors. eta vs tors. theta energy: -166.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1644.906252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.906252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.906252 (E_RNA) where: Base-Base interactions energy: -1025.225 where: short stacking energy: -464.016 Base-Backbone interact. energy: -0.778 local terms energy: -618.903072 where: bonds (distance) C4'-P energy: -132.286 bonds (distance) P-C4' energy: -147.659 flat angles C4'-P-C4' energy: -160.661 flat angles P-C4'-P energy: -88.375 tors. eta vs tors. theta energy: -89.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1336.863161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.863161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.863161 (E_RNA) where: Base-Base interactions energy: -806.208 where: short stacking energy: -386.323 Base-Backbone interact. energy: -1.385 local terms energy: -529.269737 where: bonds (distance) C4'-P energy: -122.768 bonds (distance) P-C4' energy: -152.891 flat angles C4'-P-C4' energy: -117.486 flat angles P-C4'-P energy: -87.829 tors. eta vs tors. theta energy: -48.295 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: 10, replica: 10 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -931.303077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.303077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.303077 (E_RNA) where: Base-Base interactions energy: -510.550 where: short stacking energy: -287.550 Base-Backbone interact. energy: 3.251 local terms energy: -424.003909 where: bonds (distance) C4'-P energy: -126.585 bonds (distance) P-C4' energy: -119.842 flat angles C4'-P-C4' energy: -122.074 flat angles P-C4'-P energy: -43.668 tors. eta vs tors. theta energy: -11.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -3047.047477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.047477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.047477 (E_RNA) where: Base-Base interactions energy: -2150.192 where: short stacking energy: -848.362 Base-Backbone interact. energy: -9.211 local terms energy: -887.645088 where: bonds (distance) C4'-P energy: -150.026 bonds (distance) P-C4' energy: -173.718 flat angles C4'-P-C4' energy: -189.519 flat angles P-C4'-P energy: -138.608 tors. eta vs tors. theta energy: -235.773 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: 1 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2847.451920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.451920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.451920 (E_RNA) where: Base-Base interactions energy: -1972.023 where: short stacking energy: -807.636 Base-Backbone interact. energy: -5.376 local terms energy: -870.052663 where: bonds (distance) C4'-P energy: -138.029 bonds (distance) P-C4' energy: -175.720 flat angles C4'-P-C4' energy: -188.633 flat angles P-C4'-P energy: -140.301 tors. eta vs tors. theta energy: -227.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2760.551587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.551587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.551587 (E_RNA) where: Base-Base interactions energy: -1931.997 where: short stacking energy: -782.260 Base-Backbone interact. energy: -0.009 local terms energy: -828.545098 where: bonds (distance) C4'-P energy: -149.146 bonds (distance) P-C4' energy: -166.855 flat angles C4'-P-C4' energy: -182.729 flat angles P-C4'-P energy: -125.769 tors. eta vs tors. theta energy: -204.046 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: 4 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2600.951117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.951117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.951117 (E_RNA) where: Base-Base interactions energy: -1805.734 where: short stacking energy: -776.292 Base-Backbone interact. energy: -3.605 local terms energy: -791.611657 where: bonds (distance) C4'-P energy: -139.105 bonds (distance) P-C4' energy: -156.153 flat angles C4'-P-C4' energy: -167.302 flat angles P-C4'-P energy: -109.958 tors. eta vs tors. theta energy: -219.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -2498.363692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.363692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.363692 (E_RNA) where: Base-Base interactions energy: -1728.693 where: short stacking energy: -721.212 Base-Backbone interact. energy: 1.101 local terms energy: -770.771753 where: bonds (distance) C4'-P energy: -147.899 bonds (distance) P-C4' energy: -139.317 flat angles C4'-P-C4' energy: -169.493 flat angles P-C4'-P energy: -119.635 tors. eta vs tors. theta energy: -194.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -2357.881074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.881074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.881074 (E_RNA) where: Base-Base interactions energy: -1631.142 where: short stacking energy: -684.168 Base-Backbone interact. energy: 0.094 local terms energy: -726.833002 where: bonds (distance) C4'-P energy: -124.755 bonds (distance) P-C4' energy: -146.922 flat angles C4'-P-C4' energy: -174.457 flat angles P-C4'-P energy: -105.858 tors. eta vs tors. theta energy: -174.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -2103.849028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.849028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.849028 (E_RNA) where: Base-Base interactions energy: -1404.387 where: short stacking energy: -583.126 Base-Backbone interact. energy: -2.085 local terms energy: -697.377481 where: bonds (distance) C4'-P energy: -135.118 bonds (distance) P-C4' energy: -165.399 flat angles C4'-P-C4' energy: -160.676 flat angles P-C4'-P energy: -86.623 tors. eta vs tors. theta energy: -149.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1678.758073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.758073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.758073 (E_RNA) where: Base-Base interactions energy: -1086.590 where: short stacking energy: -478.213 Base-Backbone interact. energy: 7.001 local terms energy: -599.168619 where: bonds (distance) C4'-P energy: -120.304 bonds (distance) P-C4' energy: -154.420 flat angles C4'-P-C4' energy: -139.758 flat angles P-C4'-P energy: -79.017 tors. eta vs tors. theta energy: -105.670 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: 124 Temperature: 1.300000 Total energy: -1329.804516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.804516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.804516 (E_RNA) where: Base-Base interactions energy: -787.848 where: short stacking energy: -363.099 Base-Backbone interact. energy: -2.232 local terms energy: -539.724033 where: bonds (distance) C4'-P energy: -124.735 bonds (distance) P-C4' energy: -132.768 flat angles C4'-P-C4' energy: -141.960 flat angles P-C4'-P energy: -93.102 tors. eta vs tors. theta energy: -47.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -982.697827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.697827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.697827 (E_RNA) where: Base-Base interactions energy: -517.282 where: short stacking energy: -281.973 Base-Backbone interact. energy: -2.406 local terms energy: -463.009909 where: bonds (distance) C4'-P energy: -130.481 bonds (distance) P-C4' energy: -132.536 flat angles C4'-P-C4' energy: -127.504 flat angles P-C4'-P energy: -69.130 tors. eta vs tors. theta energy: -3.359 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: 1, replica: 3 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -3045.566459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.566459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.566459 (E_RNA) where: Base-Base interactions energy: -2162.283 where: short stacking energy: -874.137 Base-Backbone interact. energy: -4.386 local terms energy: -878.897289 where: bonds (distance) C4'-P energy: -156.987 bonds (distance) P-C4' energy: -161.309 flat angles C4'-P-C4' energy: -193.939 flat angles P-C4'-P energy: -131.509 tors. eta vs tors. theta energy: -235.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2833.181478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.181478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.181478 (E_RNA) where: Base-Base interactions energy: -1972.624 where: short stacking energy: -810.741 Base-Backbone interact. energy: -5.143 local terms energy: -855.414513 where: bonds (distance) C4'-P energy: -169.103 bonds (distance) P-C4' energy: -153.017 flat angles C4'-P-C4' energy: -184.002 flat angles P-C4'-P energy: -122.839 tors. eta vs tors. theta energy: -226.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2750.563367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.563367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.563367 (E_RNA) where: Base-Base interactions energy: -1941.314 where: short stacking energy: -812.480 Base-Backbone interact. energy: -4.995 local terms energy: -804.254389 where: bonds (distance) C4'-P energy: -158.013 bonds (distance) P-C4' energy: -161.025 flat angles C4'-P-C4' energy: -166.442 flat angles P-C4'-P energy: -113.753 tors. eta vs tors. theta energy: -205.021 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: 4 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2546.442810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.442810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.442810 (E_RNA) where: Base-Base interactions energy: -1767.863 where: short stacking energy: -741.690 Base-Backbone interact. energy: 0.411 local terms energy: -778.990283 where: bonds (distance) C4'-P energy: -144.415 bonds (distance) P-C4' energy: -138.338 flat angles C4'-P-C4' energy: -160.817 flat angles P-C4'-P energy: -116.830 tors. eta vs tors. theta energy: -218.590 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: 8 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -2499.061772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.061772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.061772 (E_RNA) where: Base-Base interactions energy: -1732.843 where: short stacking energy: -748.566 Base-Backbone interact. energy: 0.536 local terms energy: -766.754521 where: bonds (distance) C4'-P energy: -129.685 bonds (distance) P-C4' energy: -164.994 flat angles C4'-P-C4' energy: -159.367 flat angles P-C4'-P energy: -106.562 tors. eta vs tors. theta energy: -206.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -2373.923594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.923594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.923594 (E_RNA) where: Base-Base interactions energy: -1653.694 where: short stacking energy: -691.209 Base-Backbone interact. energy: -0.565 local terms energy: -719.664713 where: bonds (distance) C4'-P energy: -144.054 bonds (distance) P-C4' energy: -144.210 flat angles C4'-P-C4' energy: -159.053 flat angles P-C4'-P energy: -102.247 tors. eta vs tors. theta energy: -170.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -2121.279563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.279563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.279563 (E_RNA) where: Base-Base interactions energy: -1456.631 where: short stacking energy: -615.916 Base-Backbone interact. energy: -1.965 local terms energy: -662.683110 where: bonds (distance) C4'-P energy: -126.287 bonds (distance) P-C4' energy: -135.711 flat angles C4'-P-C4' energy: -147.816 flat angles P-C4'-P energy: -99.875 tors. eta vs tors. theta energy: -152.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1654.520823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.520823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.520823 (E_RNA) where: Base-Base interactions energy: -1036.047 where: short stacking energy: -442.048 Base-Backbone interact. energy: 0.347 local terms energy: -618.820894 where: bonds (distance) C4'-P energy: -155.270 bonds (distance) P-C4' energy: -147.502 flat angles C4'-P-C4' energy: -149.538 flat angles P-C4'-P energy: -71.474 tors. eta vs tors. theta energy: -95.036 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: 125 Temperature: 1.300000 Total energy: -1328.282512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.282512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.282512 (E_RNA) where: Base-Base interactions energy: -819.910 where: short stacking energy: -376.741 Base-Backbone interact. energy: -0.370 local terms energy: -508.002632 where: bonds (distance) C4'-P energy: -109.165 bonds (distance) P-C4' energy: -151.372 flat angles C4'-P-C4' energy: -118.429 flat angles P-C4'-P energy: -72.274 tors. eta vs tors. theta energy: -56.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -954.146743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.146743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.146743 (E_RNA) where: Base-Base interactions energy: -485.050 where: short stacking energy: -270.179 Base-Backbone interact. energy: 10.567 local terms energy: -479.664389 where: bonds (distance) C4'-P energy: -145.471 bonds (distance) P-C4' energy: -128.286 flat angles C4'-P-C4' energy: -119.737 flat angles P-C4'-P energy: -80.001 tors. eta vs tors. theta energy: -6.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -3056.154738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.154738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.154738 (E_RNA) where: Base-Base interactions energy: -2167.271 where: short stacking energy: -882.346 Base-Backbone interact. energy: -3.321 local terms energy: -885.563127 where: bonds (distance) C4'-P energy: -171.960 bonds (distance) P-C4' energy: -175.260 flat angles C4'-P-C4' energy: -185.897 flat angles P-C4'-P energy: -106.984 tors. eta vs tors. theta energy: -245.462 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: 126 Temperature: 0.950000 Total energy: -2838.017617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.017617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.017617 (E_RNA) where: Base-Base interactions energy: -1961.091 where: short stacking energy: -830.485 Base-Backbone interact. energy: -4.587 local terms energy: -872.339723 where: bonds (distance) C4'-P energy: -159.948 bonds (distance) P-C4' energy: -171.931 flat angles C4'-P-C4' energy: -173.657 flat angles P-C4'-P energy: -141.233 tors. eta vs tors. theta energy: -225.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2721.215989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.215989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.215989 (E_RNA) where: Base-Base interactions energy: -1886.840 where: short stacking energy: -787.778 Base-Backbone interact. energy: -4.318 local terms energy: -830.057892 where: bonds (distance) C4'-P energy: -147.838 bonds (distance) P-C4' energy: -171.528 flat angles C4'-P-C4' energy: -178.367 flat angles P-C4'-P energy: -122.103 tors. eta vs tors. theta energy: -210.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2599.552122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.552122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.552122 (E_RNA) where: Base-Base interactions energy: -1795.970 where: short stacking energy: -748.045 Base-Backbone interact. energy: -3.011 local terms energy: -800.570930 where: bonds (distance) C4'-P energy: -154.087 bonds (distance) P-C4' energy: -155.947 flat angles C4'-P-C4' energy: -162.818 flat angles P-C4'-P energy: -123.148 tors. eta vs tors. theta energy: -204.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -2479.288393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.288393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.288393 (E_RNA) where: Base-Base interactions energy: -1732.577 where: short stacking energy: -727.629 Base-Backbone interact. energy: -1.408 local terms energy: -745.303734 where: bonds (distance) C4'-P energy: -138.256 bonds (distance) P-C4' energy: -149.063 flat angles C4'-P-C4' energy: -162.177 flat angles P-C4'-P energy: -107.038 tors. eta vs tors. theta energy: -188.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -2435.247881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.247881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.247881 (E_RNA) where: Base-Base interactions energy: -1709.989 where: short stacking energy: -709.524 Base-Backbone interact. energy: -0.114 local terms energy: -725.144646 where: bonds (distance) C4'-P energy: -138.645 bonds (distance) P-C4' energy: -120.420 flat angles C4'-P-C4' energy: -162.087 flat angles P-C4'-P energy: -112.485 tors. eta vs tors. theta energy: -191.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -2182.079863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.079863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.079863 (E_RNA) where: Base-Base interactions energy: -1481.917 where: short stacking energy: -633.272 Base-Backbone interact. energy: -5.581 local terms energy: -694.581298 where: bonds (distance) C4'-P energy: -126.370 bonds (distance) P-C4' energy: -169.207 flat angles C4'-P-C4' energy: -127.317 flat angles P-C4'-P energy: -105.416 tors. eta vs tors. theta energy: -166.271 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: 2 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1663.710378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.710378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.710378 (E_RNA) where: Base-Base interactions energy: -1069.386 where: short stacking energy: -466.594 Base-Backbone interact. energy: -3.011 local terms energy: -591.313245 where: bonds (distance) C4'-P energy: -125.842 bonds (distance) P-C4' energy: -149.893 flat angles C4'-P-C4' energy: -145.527 flat angles P-C4'-P energy: -94.869 tors. eta vs tors. theta energy: -75.183 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: 126 Temperature: 1.300000 Total energy: -1293.733821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.733821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.733821 (E_RNA) where: Base-Base interactions energy: -745.277 where: short stacking energy: -360.460 Base-Backbone interact. energy: -1.019 local terms energy: -547.437033 where: bonds (distance) C4'-P energy: -117.337 bonds (distance) P-C4' energy: -152.699 flat angles C4'-P-C4' energy: -144.269 flat angles P-C4'-P energy: -73.276 tors. eta vs tors. theta energy: -59.855 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: 10 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -888.907800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.907800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.907800 (E_RNA) where: Base-Base interactions energy: -437.499 where: short stacking energy: -254.580 Base-Backbone interact. energy: 1.219 local terms energy: -452.628089 where: bonds (distance) C4'-P energy: -114.850 bonds (distance) P-C4' energy: -131.648 flat angles C4'-P-C4' energy: -128.443 flat angles P-C4'-P energy: -84.871 tors. eta vs tors. theta energy: 7.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -3055.580212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.580212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.580212 (E_RNA) where: Base-Base interactions energy: -2175.419 where: short stacking energy: -875.497 Base-Backbone interact. energy: 0.551 local terms energy: -880.712475 where: bonds (distance) C4'-P energy: -144.269 bonds (distance) P-C4' energy: -161.674 flat angles C4'-P-C4' energy: -195.610 flat angles P-C4'-P energy: -133.711 tors. eta vs tors. theta energy: -245.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2835.837213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.837213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.837213 (E_RNA) where: Base-Base interactions energy: -1976.627 where: short stacking energy: -785.826 Base-Backbone interact. energy: -6.121 local terms energy: -853.089507 where: bonds (distance) C4'-P energy: -155.122 bonds (distance) P-C4' energy: -156.665 flat angles C4'-P-C4' energy: -184.342 flat angles P-C4'-P energy: -126.351 tors. eta vs tors. theta energy: -230.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2744.173510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.173510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.173510 (E_RNA) where: Base-Base interactions energy: -1909.500 where: short stacking energy: -798.295 Base-Backbone interact. energy: -2.696 local terms energy: -831.977455 where: bonds (distance) C4'-P energy: -150.692 bonds (distance) P-C4' energy: -164.775 flat angles C4'-P-C4' energy: -180.135 flat angles P-C4'-P energy: -118.282 tors. eta vs tors. theta energy: -218.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2578.081589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.081589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.081589 (E_RNA) where: Base-Base interactions energy: -1750.944 where: short stacking energy: -752.835 Base-Backbone interact. energy: -3.314 local terms energy: -823.823527 where: bonds (distance) C4'-P energy: -145.211 bonds (distance) P-C4' energy: -164.935 flat angles C4'-P-C4' energy: -177.745 flat angles P-C4'-P energy: -116.762 tors. eta vs tors. theta energy: -219.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -2454.292831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.292831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.292831 (E_RNA) where: Base-Base interactions energy: -1717.272 where: short stacking energy: -690.239 Base-Backbone interact. energy: -2.444 local terms energy: -734.576560 where: bonds (distance) C4'-P energy: -141.065 bonds (distance) P-C4' energy: -142.307 flat angles C4'-P-C4' energy: -154.250 flat angles P-C4'-P energy: -111.515 tors. eta vs tors. theta energy: -185.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -2405.443120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.443120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.443120 (E_RNA) where: Base-Base interactions energy: -1699.093 where: short stacking energy: -705.473 Base-Backbone interact. energy: -4.211 local terms energy: -702.139038 where: bonds (distance) C4'-P energy: -143.149 bonds (distance) P-C4' energy: -130.096 flat angles C4'-P-C4' energy: -135.477 flat angles P-C4'-P energy: -102.631 tors. eta vs tors. theta energy: -190.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -2189.770019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.770019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.770019 (E_RNA) where: Base-Base interactions energy: -1523.243 where: short stacking energy: -632.856 Base-Backbone interact. energy: 2.397 local terms energy: -668.923667 where: bonds (distance) C4'-P energy: -139.325 bonds (distance) P-C4' energy: -119.533 flat angles C4'-P-C4' energy: -153.452 flat angles P-C4'-P energy: -95.570 tors. eta vs tors. theta energy: -161.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1601.791839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.791839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.791839 (E_RNA) where: Base-Base interactions energy: -1023.878 where: short stacking energy: -453.883 Base-Backbone interact. energy: -0.492 local terms energy: -577.421007 where: bonds (distance) C4'-P energy: -132.399 bonds (distance) P-C4' energy: -135.977 flat angles C4'-P-C4' energy: -134.256 flat angles P-C4'-P energy: -85.018 tors. eta vs tors. theta energy: -89.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1229.176262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.176262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.176262 (E_RNA) where: Base-Base interactions energy: -728.487 where: short stacking energy: -358.772 Base-Backbone interact. energy: -2.866 local terms energy: -497.822818 where: bonds (distance) C4'-P energy: -128.388 bonds (distance) P-C4' energy: -144.473 flat angles C4'-P-C4' energy: -112.729 flat angles P-C4'-P energy: -65.704 tors. eta vs tors. theta energy: -46.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -864.935265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.935265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.935265 (E_RNA) where: Base-Base interactions energy: -419.584 where: short stacking energy: -233.300 Base-Backbone interact. energy: -2.059 local terms energy: -443.292240 where: bonds (distance) C4'-P energy: -101.742 bonds (distance) P-C4' energy: -165.566 flat angles C4'-P-C4' energy: -98.102 flat angles P-C4'-P energy: -61.731 tors. eta vs tors. theta energy: -16.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -3060.195357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.195357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.195357 (E_RNA) where: Base-Base interactions energy: -2164.424 where: short stacking energy: -873.334 Base-Backbone interact. energy: -0.707 local terms energy: -895.064143 where: bonds (distance) C4'-P energy: -162.944 bonds (distance) P-C4' energy: -176.056 flat angles C4'-P-C4' energy: -193.500 flat angles P-C4'-P energy: -123.370 tors. eta vs tors. theta energy: -239.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2830.942852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.942852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.942852 (E_RNA) where: Base-Base interactions energy: -1973.128 where: short stacking energy: -806.531 Base-Backbone interact. energy: -7.703 local terms energy: -850.111730 where: bonds (distance) C4'-P energy: -159.512 bonds (distance) P-C4' energy: -151.877 flat angles C4'-P-C4' energy: -182.204 flat angles P-C4'-P energy: -128.872 tors. eta vs tors. theta energy: -227.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2721.314913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.314913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.314913 (E_RNA) where: Base-Base interactions energy: -1870.044 where: short stacking energy: -739.001 Base-Backbone interact. energy: -2.178 local terms energy: -849.093478 where: bonds (distance) C4'-P energy: -161.939 bonds (distance) P-C4' energy: -168.903 flat angles C4'-P-C4' energy: -196.839 flat angles P-C4'-P energy: -123.898 tors. eta vs tors. theta energy: -197.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2611.230220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.230220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.230220 (E_RNA) where: Base-Base interactions energy: -1815.050 where: short stacking energy: -758.978 Base-Backbone interact. energy: -3.237 local terms energy: -792.942615 where: bonds (distance) C4'-P energy: -153.726 bonds (distance) P-C4' energy: -150.763 flat angles C4'-P-C4' energy: -179.480 flat angles P-C4'-P energy: -108.279 tors. eta vs tors. theta energy: -200.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -2524.501166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.501166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.501166 (E_RNA) where: Base-Base interactions energy: -1726.487 where: short stacking energy: -718.588 Base-Backbone interact. energy: -1.870 local terms energy: -796.144035 where: bonds (distance) C4'-P energy: -167.794 bonds (distance) P-C4' energy: -146.729 flat angles C4'-P-C4' energy: -165.607 flat angles P-C4'-P energy: -111.759 tors. eta vs tors. theta energy: -204.255 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: 6, replica: 7 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -2377.200989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.200989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.200989 (E_RNA) where: Base-Base interactions energy: -1621.064 where: short stacking energy: -680.706 Base-Backbone interact. energy: -4.672 local terms energy: -751.464895 where: bonds (distance) C4'-P energy: -123.724 bonds (distance) P-C4' energy: -160.117 flat angles C4'-P-C4' energy: -177.179 flat angles P-C4'-P energy: -91.498 tors. eta vs tors. theta energy: -198.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -2264.801972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.801972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.801972 (E_RNA) where: Base-Base interactions energy: -1558.279 where: short stacking energy: -646.701 Base-Backbone interact. energy: -2.967 local terms energy: -703.555634 where: bonds (distance) C4'-P energy: -157.584 bonds (distance) P-C4' energy: -140.465 flat angles C4'-P-C4' energy: -148.298 flat angles P-C4'-P energy: -78.291 tors. eta vs tors. theta energy: -178.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1568.214903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.214903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.214903 (E_RNA) where: Base-Base interactions energy: -975.278 where: short stacking energy: -435.248 Base-Backbone interact. energy: 0.952 local terms energy: -593.889348 where: bonds (distance) C4'-P energy: -153.741 bonds (distance) P-C4' energy: -144.973 flat angles C4'-P-C4' energy: -125.539 flat angles P-C4'-P energy: -81.629 tors. eta vs tors. theta energy: -88.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1187.064771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.064771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.064771 (E_RNA) where: Base-Base interactions energy: -681.828 where: short stacking energy: -339.377 Base-Backbone interact. energy: 3.987 local terms energy: -509.223161 where: bonds (distance) C4'-P energy: -122.429 bonds (distance) P-C4' energy: -136.826 flat angles C4'-P-C4' energy: -126.567 flat angles P-C4'-P energy: -77.072 tors. eta vs tors. theta energy: -46.328 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: 10 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -884.440431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.440431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.440431 (E_RNA) where: Base-Base interactions energy: -458.274 where: short stacking energy: -252.808 Base-Backbone interact. energy: 4.201 local terms energy: -430.366974 where: bonds (distance) C4'-P energy: -122.597 bonds (distance) P-C4' energy: -133.510 flat angles C4'-P-C4' energy: -115.825 flat angles P-C4'-P energy: -75.743 tors. eta vs tors. theta energy: 17.309 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: 1, replica: 3 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -3057.704445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.704445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.704445 (E_RNA) where: Base-Base interactions energy: -2166.012 where: short stacking energy: -877.772 Base-Backbone interact. energy: -1.144 local terms energy: -890.548625 where: bonds (distance) C4'-P energy: -142.164 bonds (distance) P-C4' energy: -177.150 flat angles C4'-P-C4' energy: -197.474 flat angles P-C4'-P energy: -132.844 tors. eta vs tors. theta energy: -240.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2845.499358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.499358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.499358 (E_RNA) where: Base-Base interactions energy: -1984.250 where: short stacking energy: -831.484 Base-Backbone interact. energy: -4.759 local terms energy: -856.490442 where: bonds (distance) C4'-P energy: -160.584 bonds (distance) P-C4' energy: -179.226 flat angles C4'-P-C4' energy: -180.820 flat angles P-C4'-P energy: -108.896 tors. eta vs tors. theta energy: -226.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2706.016637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.016637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.016637 (E_RNA) where: Base-Base interactions energy: -1899.256 where: short stacking energy: -763.954 Base-Backbone interact. energy: -3.635 local terms energy: -803.125643 where: bonds (distance) C4'-P energy: -155.382 bonds (distance) P-C4' energy: -163.356 flat angles C4'-P-C4' energy: -164.270 flat angles P-C4'-P energy: -116.667 tors. eta vs tors. theta energy: -203.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2591.187271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.187271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.187271 (E_RNA) where: Base-Base interactions energy: -1827.483 where: short stacking energy: -770.239 Base-Backbone interact. energy: 1.971 local terms energy: -765.675571 where: bonds (distance) C4'-P energy: -157.557 bonds (distance) P-C4' energy: -135.863 flat angles C4'-P-C4' energy: -161.028 flat angles P-C4'-P energy: -104.511 tors. eta vs tors. theta energy: -206.716 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: 8 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -2488.726998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.726998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.726998 (E_RNA) where: Base-Base interactions energy: -1720.924 where: short stacking energy: -738.789 Base-Backbone interact. energy: -4.777 local terms energy: -763.026499 where: bonds (distance) C4'-P energy: -150.629 bonds (distance) P-C4' energy: -143.954 flat angles C4'-P-C4' energy: -152.323 flat angles P-C4'-P energy: -111.950 tors. eta vs tors. theta energy: -204.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -2359.641497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.641497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.641497 (E_RNA) where: Base-Base interactions energy: -1613.684 where: short stacking energy: -682.501 Base-Backbone interact. energy: -2.019 local terms energy: -743.938563 where: bonds (distance) C4'-P energy: -123.152 bonds (distance) P-C4' energy: -166.055 flat angles C4'-P-C4' energy: -162.967 flat angles P-C4'-P energy: -101.234 tors. eta vs tors. theta energy: -190.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -2205.421694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.421694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.421694 (E_RNA) where: Base-Base interactions energy: -1528.298 where: short stacking energy: -672.374 Base-Backbone interact. energy: -2.071 local terms energy: -675.053220 where: bonds (distance) C4'-P energy: -127.366 bonds (distance) P-C4' energy: -135.511 flat angles C4'-P-C4' energy: -160.535 flat angles P-C4'-P energy: -78.483 tors. eta vs tors. theta energy: -173.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1584.292106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.292106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.292106 (E_RNA) where: Base-Base interactions energy: -1005.900 where: short stacking energy: -443.630 Base-Backbone interact. energy: 7.630 local terms energy: -586.021332 where: bonds (distance) C4'-P energy: -124.057 bonds (distance) P-C4' energy: -128.903 flat angles C4'-P-C4' energy: -158.870 flat angles P-C4'-P energy: -93.807 tors. eta vs tors. theta energy: -80.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -1208.064102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.064102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.064102 (E_RNA) where: Base-Base interactions energy: -702.777 where: short stacking energy: -319.578 Base-Backbone interact. energy: 5.700 local terms energy: -510.987093 where: bonds (distance) C4'-P energy: -126.671 bonds (distance) P-C4' energy: -159.640 flat angles C4'-P-C4' energy: -129.366 flat angles P-C4'-P energy: -55.861 tors. eta vs tors. theta energy: -39.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -945.283258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.283258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.283258 (E_RNA) where: Base-Base interactions energy: -516.020 where: short stacking energy: -263.503 Base-Backbone interact. energy: 2.018 local terms energy: -431.281558 where: bonds (distance) C4'-P energy: -130.914 bonds (distance) P-C4' energy: -127.423 flat angles C4'-P-C4' energy: -116.875 flat angles P-C4'-P energy: -62.096 tors. eta vs tors. theta energy: 6.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -3090.059630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.059630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.059630 (E_RNA) where: Base-Base interactions energy: -2186.379 where: short stacking energy: -906.545 Base-Backbone interact. energy: -1.039 local terms energy: -902.642224 where: bonds (distance) C4'-P energy: -165.556 bonds (distance) P-C4' energy: -145.942 flat angles C4'-P-C4' energy: -200.441 flat angles P-C4'-P energy: -134.139 tors. eta vs tors. theta energy: -256.565 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: 1 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2849.918335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.918335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.918335 (E_RNA) where: Base-Base interactions energy: -1973.270 where: short stacking energy: -816.205 Base-Backbone interact. energy: -3.144 local terms energy: -873.503852 where: bonds (distance) C4'-P energy: -148.240 bonds (distance) P-C4' energy: -181.358 flat angles C4'-P-C4' energy: -181.084 flat angles P-C4'-P energy: -126.029 tors. eta vs tors. theta energy: -236.792 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: 5 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2701.551325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.551325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.551325 (E_RNA) where: Base-Base interactions energy: -1925.452 where: short stacking energy: -768.920 Base-Backbone interact. energy: -4.122 local terms energy: -771.977422 where: bonds (distance) C4'-P energy: -125.382 bonds (distance) P-C4' energy: -142.287 flat angles C4'-P-C4' energy: -184.585 flat angles P-C4'-P energy: -120.800 tors. eta vs tors. theta energy: -198.923 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: 4 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2588.172432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.172432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.172432 (E_RNA) where: Base-Base interactions energy: -1792.766 where: short stacking energy: -757.292 Base-Backbone interact. energy: 0.870 local terms energy: -796.276361 where: bonds (distance) C4'-P energy: -146.390 bonds (distance) P-C4' energy: -168.885 flat angles C4'-P-C4' energy: -173.070 flat angles P-C4'-P energy: -101.809 tors. eta vs tors. theta energy: -206.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -2457.099362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.099362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.099362 (E_RNA) where: Base-Base interactions energy: -1731.004 where: short stacking energy: -736.622 Base-Backbone interact. energy: 2.569 local terms energy: -728.664219 where: bonds (distance) C4'-P energy: -120.559 bonds (distance) P-C4' energy: -158.841 flat angles C4'-P-C4' energy: -158.378 flat angles P-C4'-P energy: -101.362 tors. eta vs tors. theta energy: -189.525 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: 7 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -2424.046093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.046093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.046093 (E_RNA) where: Base-Base interactions energy: -1646.567 where: short stacking energy: -666.671 Base-Backbone interact. energy: -0.993 local terms energy: -776.485907 where: bonds (distance) C4'-P energy: -138.169 bonds (distance) P-C4' energy: -160.656 flat angles C4'-P-C4' energy: -177.249 flat angles P-C4'-P energy: -101.159 tors. eta vs tors. theta energy: -199.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -2181.194161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.194161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.194161 (E_RNA) where: Base-Base interactions energy: -1494.537 where: short stacking energy: -643.500 Base-Backbone interact. energy: -3.729 local terms energy: -682.928170 where: bonds (distance) C4'-P energy: -132.982 bonds (distance) P-C4' energy: -132.145 flat angles C4'-P-C4' energy: -161.037 flat angles P-C4'-P energy: -86.837 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: 8, replica: 2 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1651.750697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.750697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.750697 (E_RNA) where: Base-Base interactions energy: -1072.013 where: short stacking energy: -488.885 Base-Backbone interact. energy: -1.849 local terms energy: -577.888469 where: bonds (distance) C4'-P energy: -128.943 bonds (distance) P-C4' energy: -144.674 flat angles C4'-P-C4' energy: -112.758 flat angles P-C4'-P energy: -92.251 tors. eta vs tors. theta energy: -99.262 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: 130 Temperature: 1.300000 Total energy: -1248.797943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.797943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.797943 (E_RNA) where: Base-Base interactions energy: -713.901 where: short stacking energy: -325.909 Base-Backbone interact. energy: -0.897 local terms energy: -533.999747 where: bonds (distance) C4'-P energy: -147.222 bonds (distance) P-C4' energy: -142.049 flat angles C4'-P-C4' energy: -127.901 flat angles P-C4'-P energy: -67.848 tors. eta vs tors. theta energy: -48.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -969.578351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.578351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.578351 (E_RNA) where: Base-Base interactions energy: -516.075 where: short stacking energy: -268.298 Base-Backbone interact. energy: -2.014 local terms energy: -451.489568 where: bonds (distance) C4'-P energy: -125.864 bonds (distance) P-C4' energy: -137.214 flat angles C4'-P-C4' energy: -124.529 flat angles P-C4'-P energy: -61.920 tors. eta vs tors. theta energy: -1.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -3094.016395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.016395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.016395 (E_RNA) where: Base-Base interactions energy: -2188.865 where: short stacking energy: -878.959 Base-Backbone interact. energy: -3.861 local terms energy: -901.290948 where: bonds (distance) C4'-P energy: -149.756 bonds (distance) P-C4' energy: -176.592 flat angles C4'-P-C4' energy: -190.359 flat angles P-C4'-P energy: -138.523 tors. eta vs tors. theta energy: -246.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2866.088646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.088646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.088646 (E_RNA) where: Base-Base interactions energy: -1996.427 where: short stacking energy: -820.106 Base-Backbone interact. energy: -0.436 local terms energy: -869.225175 where: bonds (distance) C4'-P energy: -159.323 bonds (distance) P-C4' energy: -181.360 flat angles C4'-P-C4' energy: -183.267 flat angles P-C4'-P energy: -120.397 tors. eta vs tors. theta energy: -224.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2691.416187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.416187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.416187 (E_RNA) where: Base-Base interactions energy: -1869.464 where: short stacking energy: -768.070 Base-Backbone interact. energy: -0.612 local terms energy: -821.339928 where: bonds (distance) C4'-P energy: -172.488 bonds (distance) P-C4' energy: -157.187 flat angles C4'-P-C4' energy: -178.520 flat angles P-C4'-P energy: -105.022 tors. eta vs tors. theta energy: -208.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2595.598329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.598329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.598329 (E_RNA) where: Base-Base interactions energy: -1810.306 where: short stacking energy: -752.008 Base-Backbone interact. energy: -6.910 local terms energy: -778.381910 where: bonds (distance) C4'-P energy: -143.553 bonds (distance) P-C4' energy: -148.327 flat angles C4'-P-C4' energy: -176.273 flat angles P-C4'-P energy: -104.090 tors. eta vs tors. theta energy: -206.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2458.533055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.533055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.533055 (E_RNA) where: Base-Base interactions energy: -1678.674 where: short stacking energy: -697.212 Base-Backbone interact. energy: -4.403 local terms energy: -775.456428 where: bonds (distance) C4'-P energy: -147.035 bonds (distance) P-C4' energy: -152.358 flat angles C4'-P-C4' energy: -165.544 flat angles P-C4'-P energy: -119.698 tors. eta vs tors. theta energy: -190.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -2333.560030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.560030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.560030 (E_RNA) where: Base-Base interactions energy: -1612.530 where: short stacking energy: -665.425 Base-Backbone interact. energy: 1.671 local terms energy: -722.700983 where: bonds (distance) C4'-P energy: -128.283 bonds (distance) P-C4' energy: -146.066 flat angles C4'-P-C4' energy: -173.785 flat angles P-C4'-P energy: -95.171 tors. eta vs tors. theta energy: -179.396 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: 7, replica: 6 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -2171.372293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.372293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.372293 (E_RNA) where: Base-Base interactions energy: -1509.067 where: short stacking energy: -645.961 Base-Backbone interact. energy: -1.015 local terms energy: -661.289874 where: bonds (distance) C4'-P energy: -156.728 bonds (distance) P-C4' energy: -144.862 flat angles C4'-P-C4' energy: -116.778 flat angles P-C4'-P energy: -82.914 tors. eta vs tors. theta energy: -160.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1711.886108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.886108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.886108 (E_RNA) where: Base-Base interactions energy: -1108.228 where: short stacking energy: -494.852 Base-Backbone interact. energy: 2.979 local terms energy: -606.636912 where: bonds (distance) C4'-P energy: -130.750 bonds (distance) P-C4' energy: -145.046 flat angles C4'-P-C4' energy: -138.186 flat angles P-C4'-P energy: -90.500 tors. eta vs tors. theta energy: -102.154 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: 131 Temperature: 1.300000 Total energy: -1193.070874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.070874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.070874 (E_RNA) where: Base-Base interactions energy: -664.243 where: short stacking energy: -304.376 Base-Backbone interact. energy: 4.728 local terms energy: -533.555251 where: bonds (distance) C4'-P energy: -127.350 bonds (distance) P-C4' energy: -154.524 flat angles C4'-P-C4' energy: -144.524 flat angles P-C4'-P energy: -74.141 tors. eta vs tors. theta energy: -33.016 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: 10 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -980.696003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.696003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.696003 (E_RNA) where: Base-Base interactions energy: -553.110 where: short stacking energy: -281.542 Base-Backbone interact. energy: -1.070 local terms energy: -426.515221 where: bonds (distance) C4'-P energy: -118.537 bonds (distance) P-C4' energy: -136.767 flat angles C4'-P-C4' energy: -106.253 flat angles P-C4'-P energy: -80.797 tors. eta vs tors. theta energy: 15.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -3075.937725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.937725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.937725 (E_RNA) where: Base-Base interactions energy: -2185.071 where: short stacking energy: -868.134 Base-Backbone interact. energy: -5.892 local terms energy: -884.975057 where: bonds (distance) C4'-P energy: -159.895 bonds (distance) P-C4' energy: -167.312 flat angles C4'-P-C4' energy: -193.925 flat angles P-C4'-P energy: -126.897 tors. eta vs tors. theta energy: -236.946 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: 1 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2824.462138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.462138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.462138 (E_RNA) where: Base-Base interactions energy: -1987.788 where: short stacking energy: -798.238 Base-Backbone interact. energy: -2.007 local terms energy: -834.667288 where: bonds (distance) C4'-P energy: -148.985 bonds (distance) P-C4' energy: -169.508 flat angles C4'-P-C4' energy: -181.038 flat angles P-C4'-P energy: -113.769 tors. eta vs tors. theta energy: -221.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2702.023439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.023439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.023439 (E_RNA) where: Base-Base interactions energy: -1905.979 where: short stacking energy: -764.547 Base-Backbone interact. energy: -2.204 local terms energy: -793.840393 where: bonds (distance) C4'-P energy: -149.920 bonds (distance) P-C4' energy: -157.261 flat angles C4'-P-C4' energy: -168.598 flat angles P-C4'-P energy: -116.066 tors. eta vs tors. theta energy: -201.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2673.946387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.946387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.946387 (E_RNA) where: Base-Base interactions energy: -1836.789 where: short stacking energy: -765.720 Base-Backbone interact. energy: -3.858 local terms energy: -833.299300 where: bonds (distance) C4'-P energy: -143.729 bonds (distance) P-C4' energy: -180.055 flat angles C4'-P-C4' energy: -171.540 flat angles P-C4'-P energy: -120.677 tors. eta vs tors. theta energy: -217.299 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: 5, replica: 8 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -2474.765619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.765619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.765619 (E_RNA) where: Base-Base interactions energy: -1718.803 where: short stacking energy: -711.294 Base-Backbone interact. energy: -5.086 local terms energy: -750.876347 where: bonds (distance) C4'-P energy: -122.969 bonds (distance) P-C4' energy: -148.677 flat angles C4'-P-C4' energy: -157.073 flat angles P-C4'-P energy: -109.509 tors. eta vs tors. theta energy: -212.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -2348.143790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.143790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.143790 (E_RNA) where: Base-Base interactions energy: -1623.199 where: short stacking energy: -703.697 Base-Backbone interact. energy: -5.257 local terms energy: -719.688080 where: bonds (distance) C4'-P energy: -121.654 bonds (distance) P-C4' energy: -145.202 flat angles C4'-P-C4' energy: -153.014 flat angles P-C4'-P energy: -103.587 tors. eta vs tors. theta energy: -196.231 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: 6 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -2137.504692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.504692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.504692 (E_RNA) where: Base-Base interactions energy: -1434.014 where: short stacking energy: -641.223 Base-Backbone interact. energy: -4.019 local terms energy: -699.471507 where: bonds (distance) C4'-P energy: -126.694 bonds (distance) P-C4' energy: -164.073 flat angles C4'-P-C4' energy: -153.691 flat angles P-C4'-P energy: -78.493 tors. eta vs tors. theta energy: -176.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1684.009280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.009280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.009280 (E_RNA) where: Base-Base interactions energy: -1094.150 where: short stacking energy: -473.699 Base-Backbone interact. energy: -0.916 local terms energy: -588.942342 where: bonds (distance) C4'-P energy: -125.238 bonds (distance) P-C4' energy: -153.336 flat angles C4'-P-C4' energy: -130.755 flat angles P-C4'-P energy: -77.124 tors. eta vs tors. theta energy: -102.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -1241.054704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.054704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.054704 (E_RNA) where: Base-Base interactions energy: -735.871 where: short stacking energy: -329.580 Base-Backbone interact. energy: 0.754 local terms energy: -505.937945 where: bonds (distance) C4'-P energy: -130.541 bonds (distance) P-C4' energy: -163.702 flat angles C4'-P-C4' energy: -119.688 flat angles P-C4'-P energy: -50.740 tors. eta vs tors. theta energy: -41.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -1007.982089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.982089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.982089 (E_RNA) where: Base-Base interactions energy: -576.292 where: short stacking energy: -306.310 Base-Backbone interact. energy: 0.920 local terms energy: -432.610698 where: bonds (distance) C4'-P energy: -128.349 bonds (distance) P-C4' energy: -140.813 flat angles C4'-P-C4' energy: -106.289 flat angles P-C4'-P energy: -47.580 tors. eta vs tors. theta energy: -9.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -3064.937384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.937384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.937384 (E_RNA) where: Base-Base interactions energy: -2157.262 where: short stacking energy: -885.340 Base-Backbone interact. energy: -5.906 local terms energy: -901.770154 where: bonds (distance) C4'-P energy: -149.594 bonds (distance) P-C4' energy: -170.944 flat angles C4'-P-C4' energy: -197.174 flat angles P-C4'-P energy: -142.180 tors. eta vs tors. theta energy: -241.878 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: 133 Temperature: 0.950000 Total energy: -2857.784175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.784175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.784175 (E_RNA) where: Base-Base interactions energy: -2003.636 where: short stacking energy: -818.839 Base-Backbone interact. energy: -1.668 local terms energy: -852.480417 where: bonds (distance) C4'-P energy: -138.386 bonds (distance) P-C4' energy: -178.410 flat angles C4'-P-C4' energy: -175.337 flat angles P-C4'-P energy: -131.137 tors. eta vs tors. theta energy: -229.210 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: 3, replica: 5 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2707.038922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.038922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.038922 (E_RNA) where: Base-Base interactions energy: -1904.744 where: short stacking energy: -787.348 Base-Backbone interact. energy: -3.256 local terms energy: -799.038506 where: bonds (distance) C4'-P energy: -128.422 bonds (distance) P-C4' energy: -165.718 flat angles C4'-P-C4' energy: -170.797 flat angles P-C4'-P energy: -121.143 tors. eta vs tors. theta energy: -212.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2596.540154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.540154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.540154 (E_RNA) where: Base-Base interactions energy: -1803.695 where: short stacking energy: -774.666 Base-Backbone interact. energy: -4.974 local terms energy: -787.870926 where: bonds (distance) C4'-P energy: -141.977 bonds (distance) P-C4' energy: -157.920 flat angles C4'-P-C4' energy: -176.539 flat angles P-C4'-P energy: -103.899 tors. eta vs tors. theta energy: -207.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2458.330169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.330169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.330169 (E_RNA) where: Base-Base interactions energy: -1692.763 where: short stacking energy: -733.947 Base-Backbone interact. energy: 2.154 local terms energy: -767.720955 where: bonds (distance) C4'-P energy: -147.475 bonds (distance) P-C4' energy: -152.476 flat angles C4'-P-C4' energy: -148.234 flat angles P-C4'-P energy: -112.046 tors. eta vs tors. theta energy: -207.489 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: 7 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -2308.276443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.276443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.276443 (E_RNA) where: Base-Base interactions energy: -1585.324 where: short stacking energy: -645.562 Base-Backbone interact. energy: -1.421 local terms energy: -721.530713 where: bonds (distance) C4'-P energy: -133.117 bonds (distance) P-C4' energy: -151.611 flat angles C4'-P-C4' energy: -166.897 flat angles P-C4'-P energy: -95.053 tors. eta vs tors. theta energy: -174.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -2169.870790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.870790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.870790 (E_RNA) where: Base-Base interactions energy: -1481.903 where: short stacking energy: -648.398 Base-Backbone interact. energy: -0.401 local terms energy: -687.566701 where: bonds (distance) C4'-P energy: -139.813 bonds (distance) P-C4' energy: -137.373 flat angles C4'-P-C4' energy: -150.494 flat angles P-C4'-P energy: -96.582 tors. eta vs tors. theta energy: -163.305 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: 2 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1629.188506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.188506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.188506 (E_RNA) where: Base-Base interactions energy: -1027.123 where: short stacking energy: -455.934 Base-Backbone interact. energy: 3.945 local terms energy: -606.010962 where: bonds (distance) C4'-P energy: -155.516 bonds (distance) P-C4' energy: -134.676 flat angles C4'-P-C4' energy: -136.435 flat angles P-C4'-P energy: -94.699 tors. eta vs tors. theta energy: -84.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1196.720416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.720416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.720416 (E_RNA) where: Base-Base interactions energy: -665.702 where: short stacking energy: -331.801 Base-Backbone interact. energy: -3.751 local terms energy: -527.267498 where: bonds (distance) C4'-P energy: -137.369 bonds (distance) P-C4' energy: -165.713 flat angles C4'-P-C4' energy: -125.251 flat angles P-C4'-P energy: -69.256 tors. eta vs tors. theta energy: -29.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -1008.204841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.204841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.204841 (E_RNA) where: Base-Base interactions energy: -534.729 where: short stacking energy: -280.078 Base-Backbone interact. energy: 4.098 local terms energy: -477.574021 where: bonds (distance) C4'-P energy: -150.092 bonds (distance) P-C4' energy: -163.164 flat angles C4'-P-C4' energy: -99.449 flat angles P-C4'-P energy: -60.413 tors. eta vs tors. theta energy: -4.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -3067.062464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.062464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.062464 (E_RNA) where: Base-Base interactions energy: -2189.508 where: short stacking energy: -874.594 Base-Backbone interact. energy: -2.097 local terms energy: -875.457532 where: bonds (distance) C4'-P energy: -154.218 bonds (distance) P-C4' energy: -175.222 flat angles C4'-P-C4' energy: -182.131 flat angles P-C4'-P energy: -128.387 tors. eta vs tors. theta energy: -235.500 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: 1 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2843.424483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.424483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.424483 (E_RNA) where: Base-Base interactions energy: -1996.239 where: short stacking energy: -814.002 Base-Backbone interact. energy: -4.428 local terms energy: -842.756797 where: bonds (distance) C4'-P energy: -159.337 bonds (distance) P-C4' energy: -165.503 flat angles C4'-P-C4' energy: -180.998 flat angles P-C4'-P energy: -121.921 tors. eta vs tors. theta energy: -214.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2706.657880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.657880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.657880 (E_RNA) where: Base-Base interactions energy: -1887.159 where: short stacking energy: -778.267 Base-Backbone interact. energy: -1.668 local terms energy: -817.831118 where: bonds (distance) C4'-P energy: -154.384 bonds (distance) P-C4' energy: -172.415 flat angles C4'-P-C4' energy: -173.527 flat angles P-C4'-P energy: -113.474 tors. eta vs tors. theta energy: -204.031 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: 4, replica: 4 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2600.991033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.991033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.991033 (E_RNA) where: Base-Base interactions energy: -1789.809 where: short stacking energy: -764.829 Base-Backbone interact. energy: -3.665 local terms energy: -807.516765 where: bonds (distance) C4'-P energy: -155.075 bonds (distance) P-C4' energy: -170.505 flat angles C4'-P-C4' energy: -177.917 flat angles P-C4'-P energy: -106.565 tors. eta vs tors. theta energy: -197.455 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: 5, replica: 8 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -2453.772800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.772800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.772800 (E_RNA) where: Base-Base interactions energy: -1677.601 where: short stacking energy: -722.847 Base-Backbone interact. energy: -3.017 local terms energy: -773.155078 where: bonds (distance) C4'-P energy: -147.189 bonds (distance) P-C4' energy: -151.589 flat angles C4'-P-C4' energy: -165.615 flat angles P-C4'-P energy: -115.497 tors. eta vs tors. theta energy: -193.266 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: 134 Temperature: 1.150000 Total energy: -2321.188676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.188676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.188676 (E_RNA) where: Base-Base interactions energy: -1588.074 where: short stacking energy: -689.818 Base-Backbone interact. energy: 2.630 local terms energy: -735.745413 where: bonds (distance) C4'-P energy: -134.655 bonds (distance) P-C4' energy: -143.118 flat angles C4'-P-C4' energy: -170.421 flat angles P-C4'-P energy: -120.233 tors. eta vs tors. theta energy: -167.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -2217.581276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.581276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.581276 (E_RNA) where: Base-Base interactions energy: -1506.969 where: short stacking energy: -630.671 Base-Backbone interact. energy: -3.328 local terms energy: -707.284327 where: bonds (distance) C4'-P energy: -129.999 bonds (distance) P-C4' energy: -139.778 flat angles C4'-P-C4' energy: -161.997 flat angles P-C4'-P energy: -106.338 tors. eta vs tors. theta energy: -169.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1639.798786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.798786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.798786 (E_RNA) where: Base-Base interactions energy: -1033.869 where: short stacking energy: -483.592 Base-Backbone interact. energy: -5.190 local terms energy: -600.739569 where: bonds (distance) C4'-P energy: -128.904 bonds (distance) P-C4' energy: -146.975 flat angles C4'-P-C4' energy: -133.190 flat angles P-C4'-P energy: -102.403 tors. eta vs tors. theta energy: -89.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -1239.030902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.030902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.030902 (E_RNA) where: Base-Base interactions energy: -753.062 where: short stacking energy: -332.013 Base-Backbone interact. energy: 1.449 local terms energy: -487.417846 where: bonds (distance) C4'-P energy: -114.296 bonds (distance) P-C4' energy: -120.041 flat angles C4'-P-C4' energy: -119.687 flat angles P-C4'-P energy: -89.895 tors. eta vs tors. theta energy: -43.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -997.219227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.219227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.219227 (E_RNA) where: Base-Base interactions energy: -533.970 where: short stacking energy: -299.619 Base-Backbone interact. energy: 3.368 local terms energy: -466.616635 where: bonds (distance) C4'-P energy: -108.520 bonds (distance) P-C4' energy: -138.202 flat angles C4'-P-C4' energy: -148.962 flat angles P-C4'-P energy: -59.597 tors. eta vs tors. theta energy: -11.336 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: 3 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -3045.790750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.790750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.790750 (E_RNA) where: Base-Base interactions energy: -2156.869 where: short stacking energy: -881.859 Base-Backbone interact. energy: -4.502 local terms energy: -884.420040 where: bonds (distance) C4'-P energy: -134.955 bonds (distance) P-C4' energy: -181.986 flat angles C4'-P-C4' energy: -176.236 flat angles P-C4'-P energy: -138.957 tors. eta vs tors. theta energy: -252.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2823.221841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.221841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.221841 (E_RNA) where: Base-Base interactions energy: -1910.690 where: short stacking energy: -811.410 Base-Backbone interact. energy: -3.185 local terms energy: -909.346806 where: bonds (distance) C4'-P energy: -171.298 bonds (distance) P-C4' energy: -192.123 flat angles C4'-P-C4' energy: -188.157 flat angles P-C4'-P energy: -127.757 tors. eta vs tors. theta energy: -230.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2700.078428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.078428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.078428 (E_RNA) where: Base-Base interactions energy: -1886.502 where: short stacking energy: -779.690 Base-Backbone interact. energy: -3.845 local terms energy: -809.731574 where: bonds (distance) C4'-P energy: -138.071 bonds (distance) P-C4' energy: -161.929 flat angles C4'-P-C4' energy: -162.049 flat angles P-C4'-P energy: -138.875 tors. eta vs tors. theta energy: -208.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2552.705627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.705627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.705627 (E_RNA) where: Base-Base interactions energy: -1748.196 where: short stacking energy: -737.078 Base-Backbone interact. energy: -1.154 local terms energy: -803.355626 where: bonds (distance) C4'-P energy: -133.078 bonds (distance) P-C4' energy: -168.726 flat angles C4'-P-C4' energy: -182.479 flat angles P-C4'-P energy: -116.632 tors. eta vs tors. theta energy: -202.441 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: 5, replica: 8 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2493.621923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.621923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.621923 (E_RNA) where: Base-Base interactions energy: -1728.609 where: short stacking energy: -730.808 Base-Backbone interact. energy: -0.353 local terms energy: -764.660406 where: bonds (distance) C4'-P energy: -164.206 bonds (distance) P-C4' energy: -139.219 flat angles C4'-P-C4' energy: -167.397 flat angles P-C4'-P energy: -93.818 tors. eta vs tors. theta energy: -200.020 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: 6, replica: 7 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -2312.140144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.140144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.140144 (E_RNA) where: Base-Base interactions energy: -1592.627 where: short stacking energy: -629.374 Base-Backbone interact. energy: 2.713 local terms energy: -722.225875 where: bonds (distance) C4'-P energy: -138.973 bonds (distance) P-C4' energy: -141.460 flat angles C4'-P-C4' energy: -160.396 flat angles P-C4'-P energy: -101.930 tors. eta vs tors. theta energy: -179.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -2171.614658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.614658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.614658 (E_RNA) where: Base-Base interactions energy: -1528.850 where: short stacking energy: -630.066 Base-Backbone interact. energy: 1.536 local terms energy: -644.300559 where: bonds (distance) C4'-P energy: -124.679 bonds (distance) P-C4' energy: -127.635 flat angles C4'-P-C4' energy: -135.895 flat angles P-C4'-P energy: -93.008 tors. eta vs tors. theta energy: -163.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1744.725696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.725696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.725696 (E_RNA) where: Base-Base interactions energy: -1144.433 where: short stacking energy: -503.560 Base-Backbone interact. energy: -4.392 local terms energy: -595.900319 where: bonds (distance) C4'-P energy: -114.821 bonds (distance) P-C4' energy: -154.019 flat angles C4'-P-C4' energy: -149.114 flat angles P-C4'-P energy: -70.848 tors. eta vs tors. theta energy: -107.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -1316.552390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.552390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.552390 (E_RNA) where: Base-Base interactions energy: -796.805 where: short stacking energy: -385.930 Base-Backbone interact. energy: -0.293 local terms energy: -519.454854 where: bonds (distance) C4'-P energy: -137.482 bonds (distance) P-C4' energy: -138.366 flat angles C4'-P-C4' energy: -146.336 flat angles P-C4'-P energy: -52.778 tors. eta vs tors. theta energy: -44.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -937.520582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.520582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.520582 (E_RNA) where: Base-Base interactions energy: -508.403 where: short stacking energy: -248.651 Base-Backbone interact. energy: 5.720 local terms energy: -434.837622 where: bonds (distance) C4'-P energy: -128.258 bonds (distance) P-C4' energy: -127.256 flat angles C4'-P-C4' energy: -127.932 flat angles P-C4'-P energy: -55.245 tors. eta vs tors. theta energy: 3.854 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: 1, replica: 3 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -3056.379178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.379178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.379178 (E_RNA) where: Base-Base interactions energy: -2135.565 where: short stacking energy: -858.206 Base-Backbone interact. energy: -6.007 local terms energy: -914.807659 where: bonds (distance) C4'-P energy: -163.710 bonds (distance) P-C4' energy: -188.006 flat angles C4'-P-C4' energy: -190.618 flat angles P-C4'-P energy: -124.413 tors. eta vs tors. theta energy: -248.059 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: 1 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2834.141017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.141017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.141017 (E_RNA) where: Base-Base interactions energy: -1970.655 where: short stacking energy: -816.838 Base-Backbone interact. energy: -3.863 local terms energy: -859.623090 where: bonds (distance) C4'-P energy: -172.313 bonds (distance) P-C4' energy: -162.153 flat angles C4'-P-C4' energy: -170.166 flat angles P-C4'-P energy: -130.412 tors. eta vs tors. theta energy: -224.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2699.849025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.849025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.849025 (E_RNA) where: Base-Base interactions energy: -1903.214 where: short stacking energy: -818.602 Base-Backbone interact. energy: -3.902 local terms energy: -792.732416 where: bonds (distance) C4'-P energy: -156.585 bonds (distance) P-C4' energy: -152.300 flat angles C4'-P-C4' energy: -167.165 flat angles P-C4'-P energy: -109.344 tors. eta vs tors. theta energy: -207.339 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: 4 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2593.360768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.360768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.360768 (E_RNA) where: Base-Base interactions energy: -1784.989 where: short stacking energy: -756.697 Base-Backbone interact. energy: -7.471 local terms energy: -800.901138 where: bonds (distance) C4'-P energy: -157.499 bonds (distance) P-C4' energy: -152.169 flat angles C4'-P-C4' energy: -171.728 flat angles P-C4'-P energy: -108.775 tors. eta vs tors. theta energy: -210.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -2486.064259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.064259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.064259 (E_RNA) where: Base-Base interactions energy: -1741.378 where: short stacking energy: -729.156 Base-Backbone interact. energy: 0.331 local terms energy: -745.016426 where: bonds (distance) C4'-P energy: -142.238 bonds (distance) P-C4' energy: -136.698 flat angles C4'-P-C4' energy: -179.698 flat angles P-C4'-P energy: -97.757 tors. eta vs tors. theta energy: -188.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -2310.814958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.814958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.814958 (E_RNA) where: Base-Base interactions energy: -1579.529 where: short stacking energy: -680.970 Base-Backbone interact. energy: -0.700 local terms energy: -730.586445 where: bonds (distance) C4'-P energy: -138.384 bonds (distance) P-C4' energy: -167.016 flat angles C4'-P-C4' energy: -153.369 flat angles P-C4'-P energy: -102.144 tors. eta vs tors. theta energy: -169.674 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: 6 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -2218.301085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.301085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.301085 (E_RNA) where: Base-Base interactions energy: -1496.202 where: short stacking energy: -653.765 Base-Backbone interact. energy: -2.745 local terms energy: -719.354115 where: bonds (distance) C4'-P energy: -139.598 bonds (distance) P-C4' energy: -148.488 flat angles C4'-P-C4' energy: -162.281 flat angles P-C4'-P energy: -100.247 tors. eta vs tors. theta energy: -168.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1741.980372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.980372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.980372 (E_RNA) where: Base-Base interactions energy: -1130.131 where: short stacking energy: -504.765 Base-Backbone interact. energy: 2.432 local terms energy: -614.281336 where: bonds (distance) C4'-P energy: -128.154 bonds (distance) P-C4' energy: -176.600 flat angles C4'-P-C4' energy: -137.684 flat angles P-C4'-P energy: -66.290 tors. eta vs tors. theta energy: -105.553 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: 136 Temperature: 1.300000 Total energy: -1369.158467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.158467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.158467 (E_RNA) where: Base-Base interactions energy: -859.912 where: short stacking energy: -414.433 Base-Backbone interact. energy: 0.525 local terms energy: -509.771227 where: bonds (distance) C4'-P energy: -108.369 bonds (distance) P-C4' energy: -126.499 flat angles C4'-P-C4' energy: -127.690 flat angles P-C4'-P energy: -84.123 tors. eta vs tors. theta energy: -63.091 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: 10, replica: 10 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -903.729384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.729384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.729384 (E_RNA) where: Base-Base interactions energy: -475.827 where: short stacking energy: -243.556 Base-Backbone interact. energy: 4.085 local terms energy: -431.987618 where: bonds (distance) C4'-P energy: -115.946 bonds (distance) P-C4' energy: -151.273 flat angles C4'-P-C4' energy: -105.405 flat angles P-C4'-P energy: -73.346 tors. eta vs tors. theta energy: 13.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -3044.355689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.355689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.355689 (E_RNA) where: Base-Base interactions energy: -2162.549 where: short stacking energy: -898.990 Base-Backbone interact. energy: -2.097 local terms energy: -879.709723 where: bonds (distance) C4'-P energy: -142.417 bonds (distance) P-C4' energy: -176.576 flat angles C4'-P-C4' energy: -184.998 flat angles P-C4'-P energy: -129.328 tors. eta vs tors. theta energy: -246.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2832.526507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.526507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.526507 (E_RNA) where: Base-Base interactions energy: -1966.896 where: short stacking energy: -802.824 Base-Backbone interact. energy: -6.585 local terms energy: -859.045485 where: bonds (distance) C4'-P energy: -168.258 bonds (distance) P-C4' energy: -155.820 flat angles C4'-P-C4' energy: -182.992 flat angles P-C4'-P energy: -125.664 tors. eta vs tors. theta energy: -226.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2695.542084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.542084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.542084 (E_RNA) where: Base-Base interactions energy: -1874.979 where: short stacking energy: -791.567 Base-Backbone interact. energy: -0.100 local terms energy: -820.463146 where: bonds (distance) C4'-P energy: -137.598 bonds (distance) P-C4' energy: -164.546 flat angles C4'-P-C4' energy: -178.839 flat angles P-C4'-P energy: -129.996 tors. eta vs tors. theta energy: -209.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2565.909976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.909976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.909976 (E_RNA) where: Base-Base interactions energy: -1759.667 where: short stacking energy: -721.948 Base-Backbone interact. energy: -4.856 local terms energy: -801.386984 where: bonds (distance) C4'-P energy: -148.173 bonds (distance) P-C4' energy: -151.842 flat angles C4'-P-C4' energy: -168.401 flat angles P-C4'-P energy: -128.391 tors. eta vs tors. theta energy: -204.580 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: 5, replica: 4 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2551.096023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.096023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.096023 (E_RNA) where: Base-Base interactions energy: -1752.730 where: short stacking energy: -718.643 Base-Backbone interact. energy: 0.408 local terms energy: -798.774047 where: bonds (distance) C4'-P energy: -155.151 bonds (distance) P-C4' energy: -163.178 flat angles C4'-P-C4' energy: -173.580 flat angles P-C4'-P energy: -109.607 tors. eta vs tors. theta energy: -197.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -2389.921180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.921180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.921180 (E_RNA) where: Base-Base interactions energy: -1687.909 where: short stacking energy: -703.616 Base-Backbone interact. energy: 0.846 local terms energy: -702.858398 where: bonds (distance) C4'-P energy: -117.019 bonds (distance) P-C4' energy: -130.259 flat angles C4'-P-C4' energy: -154.781 flat angles P-C4'-P energy: -109.643 tors. eta vs tors. theta energy: -191.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -2210.834916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.834916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.834916 (E_RNA) where: Base-Base interactions energy: -1514.384 where: short stacking energy: -640.382 Base-Backbone interact. energy: 4.935 local terms energy: -703.660889 where: bonds (distance) C4'-P energy: -134.550 bonds (distance) P-C4' energy: -138.352 flat angles C4'-P-C4' energy: -153.295 flat angles P-C4'-P energy: -101.179 tors. eta vs tors. theta energy: -176.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.275 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1730.873605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.873605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.873605 (E_RNA) where: Base-Base interactions energy: -1130.698 where: short stacking energy: -514.259 Base-Backbone interact. energy: 7.777 local terms energy: -607.953216 where: bonds (distance) C4'-P energy: -133.305 bonds (distance) P-C4' energy: -120.325 flat angles C4'-P-C4' energy: -145.043 flat angles P-C4'-P energy: -97.376 tors. eta vs tors. theta energy: -111.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -1263.673279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.673279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.673279 (E_RNA) where: Base-Base interactions energy: -788.356 where: short stacking energy: -363.755 Base-Backbone interact. energy: 5.742 local terms energy: -481.059548 where: bonds (distance) C4'-P energy: -130.747 bonds (distance) P-C4' energy: -118.888 flat angles C4'-P-C4' energy: -104.640 flat angles P-C4'-P energy: -76.180 tors. eta vs tors. theta energy: -50.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -919.901880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.901880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.901880 (E_RNA) where: Base-Base interactions energy: -460.964 where: short stacking energy: -236.356 Base-Backbone interact. energy: 7.072 local terms energy: -466.009217 where: bonds (distance) C4'-P energy: -134.345 bonds (distance) P-C4' energy: -141.239 flat angles C4'-P-C4' energy: -109.873 flat angles P-C4'-P energy: -66.024 tors. eta vs tors. theta energy: -14.528 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: 3 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -3057.028049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.028049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.028049 (E_RNA) where: Base-Base interactions energy: -2194.907 where: short stacking energy: -877.579 Base-Backbone interact. energy: -5.443 local terms energy: -856.677857 where: bonds (distance) C4'-P energy: -144.836 bonds (distance) P-C4' energy: -177.171 flat angles C4'-P-C4' energy: -163.530 flat angles P-C4'-P energy: -126.558 tors. eta vs tors. theta energy: -244.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2810.449101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.449101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.449101 (E_RNA) where: Base-Base interactions energy: -1947.305 where: short stacking energy: -806.590 Base-Backbone interact. energy: -6.356 local terms energy: -856.788555 where: bonds (distance) C4'-P energy: -156.987 bonds (distance) P-C4' energy: -169.181 flat angles C4'-P-C4' energy: -179.061 flat angles P-C4'-P energy: -115.706 tors. eta vs tors. theta energy: -235.854 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: 3, replica: 5 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2682.634275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.634275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.634275 (E_RNA) where: Base-Base interactions energy: -1892.629 where: short stacking energy: -784.595 Base-Backbone interact. energy: -0.717 local terms energy: -789.288108 where: bonds (distance) C4'-P energy: -120.149 bonds (distance) P-C4' energy: -162.343 flat angles C4'-P-C4' energy: -171.781 flat angles P-C4'-P energy: -121.394 tors. eta vs tors. theta energy: -213.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2551.084351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.084351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.084351 (E_RNA) where: Base-Base interactions energy: -1778.537 where: short stacking energy: -739.942 Base-Backbone interact. energy: 2.596 local terms energy: -775.142860 where: bonds (distance) C4'-P energy: -137.885 bonds (distance) P-C4' energy: -156.751 flat angles C4'-P-C4' energy: -165.398 flat angles P-C4'-P energy: -122.122 tors. eta vs tors. theta energy: -192.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -2516.454476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.454476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.454476 (E_RNA) where: Base-Base interactions energy: -1721.116 where: short stacking energy: -743.766 Base-Backbone interact. energy: -5.351 local terms energy: -789.987327 where: bonds (distance) C4'-P energy: -142.676 bonds (distance) P-C4' energy: -148.305 flat angles C4'-P-C4' energy: -180.605 flat angles P-C4'-P energy: -113.558 tors. eta vs tors. theta energy: -204.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -2371.030523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.030523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.030523 (E_RNA) where: Base-Base interactions energy: -1620.996 where: short stacking energy: -689.481 Base-Backbone interact. energy: -3.521 local terms energy: -746.513056 where: bonds (distance) C4'-P energy: -144.843 bonds (distance) P-C4' energy: -160.911 flat angles C4'-P-C4' energy: -150.470 flat angles P-C4'-P energy: -94.666 tors. eta vs tors. theta energy: -195.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -2176.975543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.975543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.975543 (E_RNA) where: Base-Base interactions energy: -1511.778 where: short stacking energy: -643.378 Base-Backbone interact. energy: -0.260 local terms energy: -664.937826 where: bonds (distance) C4'-P energy: -121.143 bonds (distance) P-C4' energy: -132.285 flat angles C4'-P-C4' energy: -151.599 flat angles P-C4'-P energy: -96.216 tors. eta vs tors. theta energy: -163.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1750.809320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.809320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.809320 (E_RNA) where: Base-Base interactions energy: -1083.687 where: short stacking energy: -504.092 Base-Backbone interact. energy: -0.956 local terms energy: -666.166172 where: bonds (distance) C4'-P energy: -127.564 bonds (distance) P-C4' energy: -165.401 flat angles C4'-P-C4' energy: -140.945 flat angles P-C4'-P energy: -106.304 tors. eta vs tors. theta energy: -125.952 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: 138 Temperature: 1.300000 Total energy: -1304.134644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.134644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.134644 (E_RNA) where: Base-Base interactions energy: -793.917 where: short stacking energy: -376.967 Base-Backbone interact. energy: 2.533 local terms energy: -512.750400 where: bonds (distance) C4'-P energy: -122.928 bonds (distance) P-C4' energy: -137.171 flat angles C4'-P-C4' energy: -140.238 flat angles P-C4'-P energy: -68.788 tors. eta vs tors. theta energy: -43.626 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: 10 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -914.668355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.668355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.668355 (E_RNA) where: Base-Base interactions energy: -498.631 where: short stacking energy: -278.481 Base-Backbone interact. energy: -0.355 local terms energy: -415.682760 where: bonds (distance) C4'-P energy: -124.264 bonds (distance) P-C4' energy: -122.582 flat angles C4'-P-C4' energy: -103.196 flat angles P-C4'-P energy: -60.681 tors. eta vs tors. theta energy: -4.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -3060.113882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.113882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.113882 (E_RNA) where: Base-Base interactions energy: -2149.941 where: short stacking energy: -875.881 Base-Backbone interact. energy: -5.056 local terms energy: -905.116268 where: bonds (distance) C4'-P energy: -163.642 bonds (distance) P-C4' energy: -168.838 flat angles C4'-P-C4' energy: -193.013 flat angles P-C4'-P energy: -134.247 tors. eta vs tors. theta energy: -245.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2825.637908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.637908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.637908 (E_RNA) where: Base-Base interactions energy: -1975.731 where: short stacking energy: -831.620 Base-Backbone interact. energy: -6.447 local terms energy: -843.459224 where: bonds (distance) C4'-P energy: -162.899 bonds (distance) P-C4' energy: -162.524 flat angles C4'-P-C4' energy: -157.814 flat angles P-C4'-P energy: -115.563 tors. eta vs tors. theta energy: -244.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2701.888385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.888385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.888385 (E_RNA) where: Base-Base interactions energy: -1874.120 where: short stacking energy: -773.413 Base-Backbone interact. energy: -3.080 local terms energy: -824.687909 where: bonds (distance) C4'-P energy: -165.163 bonds (distance) P-C4' energy: -151.765 flat angles C4'-P-C4' energy: -185.394 flat angles P-C4'-P energy: -113.842 tors. eta vs tors. theta energy: -208.523 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: 4, replica: 8 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2607.271586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.271586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.271586 (E_RNA) where: Base-Base interactions energy: -1795.236 where: short stacking energy: -747.536 Base-Backbone interact. energy: -0.735 local terms energy: -811.299989 where: bonds (distance) C4'-P energy: -148.450 bonds (distance) P-C4' energy: -169.905 flat angles C4'-P-C4' energy: -166.484 flat angles P-C4'-P energy: -123.571 tors. eta vs tors. theta energy: -202.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2571.002937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.002937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.002937 (E_RNA) where: Base-Base interactions energy: -1795.195 where: short stacking energy: -746.334 Base-Backbone interact. energy: -6.406 local terms energy: -769.401770 where: bonds (distance) C4'-P energy: -132.371 bonds (distance) P-C4' energy: -145.168 flat angles C4'-P-C4' energy: -167.056 flat angles P-C4'-P energy: -109.292 tors. eta vs tors. theta energy: -215.514 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: 7 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -2413.716495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.716495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.716495 (E_RNA) where: Base-Base interactions energy: -1678.751 where: short stacking energy: -698.414 Base-Backbone interact. energy: -3.670 local terms energy: -731.295419 where: bonds (distance) C4'-P energy: -125.363 bonds (distance) P-C4' energy: -148.348 flat angles C4'-P-C4' energy: -154.263 flat angles P-C4'-P energy: -115.706 tors. eta vs tors. theta energy: -187.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -2149.367896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.367896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.367896 (E_RNA) where: Base-Base interactions energy: -1438.220 where: short stacking energy: -633.432 Base-Backbone interact. energy: -1.314 local terms energy: -709.834118 where: bonds (distance) C4'-P energy: -146.967 bonds (distance) P-C4' energy: -164.833 flat angles C4'-P-C4' energy: -146.227 flat angles P-C4'-P energy: -99.381 tors. eta vs tors. theta energy: -152.426 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: 139 Temperature: 1.250000 Total energy: -1768.642576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.642576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.642576 (E_RNA) where: Base-Base interactions energy: -1140.575 where: short stacking energy: -505.964 Base-Backbone interact. energy: -2.235 local terms energy: -625.832495 where: bonds (distance) C4'-P energy: -131.334 bonds (distance) P-C4' energy: -159.061 flat angles C4'-P-C4' energy: -145.698 flat angles P-C4'-P energy: -78.758 tors. eta vs tors. theta energy: -110.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -1308.640008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.640008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.640008 (E_RNA) where: Base-Base interactions energy: -770.660 where: short stacking energy: -358.442 Base-Backbone interact. energy: -0.121 local terms energy: -537.859726 where: bonds (distance) C4'-P energy: -131.162 bonds (distance) P-C4' energy: -133.926 flat angles C4'-P-C4' energy: -136.741 flat angles P-C4'-P energy: -93.523 tors. eta vs tors. theta energy: -42.507 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: 10 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -959.335680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.335680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.335680 (E_RNA) where: Base-Base interactions energy: -525.645 where: short stacking energy: -278.330 Base-Backbone interact. energy: 0.721 local terms energy: -434.411798 where: bonds (distance) C4'-P energy: -130.230 bonds (distance) P-C4' energy: -123.400 flat angles C4'-P-C4' energy: -120.628 flat angles P-C4'-P energy: -61.158 tors. eta vs tors. theta energy: 1.003 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: 3 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -3057.789388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.789388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.789388 (E_RNA) where: Base-Base interactions energy: -2181.633 where: short stacking energy: -882.490 Base-Backbone interact. energy: -5.714 local terms energy: -870.442473 where: bonds (distance) C4'-P energy: -151.713 bonds (distance) P-C4' energy: -176.231 flat angles C4'-P-C4' energy: -179.396 flat angles P-C4'-P energy: -121.658 tors. eta vs tors. theta energy: -241.444 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: 1 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2842.829436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.829436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.829436 (E_RNA) where: Base-Base interactions energy: -1956.798 where: short stacking energy: -813.661 Base-Backbone interact. energy: -5.855 local terms energy: -880.176295 where: bonds (distance) C4'-P energy: -174.602 bonds (distance) P-C4' energy: -177.146 flat angles C4'-P-C4' energy: -174.165 flat angles P-C4'-P energy: -127.345 tors. eta vs tors. theta energy: -226.918 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: 5 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2731.451001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.451001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.451001 (E_RNA) where: Base-Base interactions energy: -1903.257 where: short stacking energy: -782.859 Base-Backbone interact. energy: -3.356 local terms energy: -824.837985 where: bonds (distance) C4'-P energy: -163.144 bonds (distance) P-C4' energy: -152.551 flat angles C4'-P-C4' energy: -174.900 flat angles P-C4'-P energy: -128.815 tors. eta vs tors. theta energy: -205.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2587.352941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.352941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.352941 (E_RNA) where: Base-Base interactions energy: -1790.870 where: short stacking energy: -759.643 Base-Backbone interact. energy: -4.977 local terms energy: -791.506284 where: bonds (distance) C4'-P energy: -140.170 bonds (distance) P-C4' energy: -165.240 flat angles C4'-P-C4' energy: -166.253 flat angles P-C4'-P energy: -115.207 tors. eta vs tors. theta energy: -204.637 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: 4 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2541.967761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.967761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.967761 (E_RNA) where: Base-Base interactions energy: -1767.553 where: short stacking energy: -758.967 Base-Backbone interact. energy: -2.963 local terms energy: -771.451728 where: bonds (distance) C4'-P energy: -139.210 bonds (distance) P-C4' energy: -152.545 flat angles C4'-P-C4' energy: -169.225 flat angles P-C4'-P energy: -106.753 tors. eta vs tors. theta energy: -203.718 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: 6, replica: 7 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -2431.182642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.182642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.182642 (E_RNA) where: Base-Base interactions energy: -1688.615 where: short stacking energy: -712.565 Base-Backbone interact. energy: -2.525 local terms energy: -740.042858 where: bonds (distance) C4'-P energy: -136.751 bonds (distance) P-C4' energy: -155.797 flat angles C4'-P-C4' energy: -163.268 flat angles P-C4'-P energy: -95.789 tors. eta vs tors. theta energy: -188.437 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: 6 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -2166.938235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.938235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.938235 (E_RNA) where: Base-Base interactions energy: -1469.193 where: short stacking energy: -625.962 Base-Backbone interact. energy: -1.143 local terms energy: -696.602461 where: bonds (distance) C4'-P energy: -131.754 bonds (distance) P-C4' energy: -159.229 flat angles C4'-P-C4' energy: -148.382 flat angles P-C4'-P energy: -97.331 tors. eta vs tors. theta energy: -159.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1807.329767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.329767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.329767 (E_RNA) where: Base-Base interactions energy: -1219.730 where: short stacking energy: -502.386 Base-Backbone interact. energy: 0.838 local terms energy: -588.437635 where: bonds (distance) C4'-P energy: -145.243 bonds (distance) P-C4' energy: -113.482 flat angles C4'-P-C4' energy: -154.931 flat angles P-C4'-P energy: -65.316 tors. eta vs tors. theta energy: -109.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1324.088583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.088583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.088583 (E_RNA) where: Base-Base interactions energy: -789.064 where: short stacking energy: -375.126 Base-Backbone interact. energy: -3.957 local terms energy: -531.067485 where: bonds (distance) C4'-P energy: -124.889 bonds (distance) P-C4' energy: -150.770 flat angles C4'-P-C4' energy: -144.470 flat angles P-C4'-P energy: -68.148 tors. eta vs tors. theta energy: -42.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -973.615034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.615034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.615034 (E_RNA) where: Base-Base interactions energy: -483.339 where: short stacking energy: -249.523 Base-Backbone interact. energy: 0.507 local terms energy: -490.782500 where: bonds (distance) C4'-P energy: -132.418 bonds (distance) P-C4' energy: -154.928 flat angles C4'-P-C4' energy: -112.024 flat angles P-C4'-P energy: -80.895 tors. eta vs tors. theta energy: -10.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -3048.086634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.086634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.086634 (E_RNA) where: Base-Base interactions energy: -2138.031 where: short stacking energy: -859.532 Base-Backbone interact. energy: -10.268 local terms energy: -899.787881 where: bonds (distance) C4'-P energy: -153.140 bonds (distance) P-C4' energy: -174.738 flat angles C4'-P-C4' energy: -192.074 flat angles P-C4'-P energy: -135.548 tors. eta vs tors. theta energy: -244.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2841.759164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.759164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.759164 (E_RNA) where: Base-Base interactions energy: -1995.394 where: short stacking energy: -837.968 Base-Backbone interact. energy: -4.446 local terms energy: -841.918864 where: bonds (distance) C4'-P energy: -144.573 bonds (distance) P-C4' energy: -166.820 flat angles C4'-P-C4' energy: -176.836 flat angles P-C4'-P energy: -120.311 tors. eta vs tors. theta energy: -233.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2686.543290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.543290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.543290 (E_RNA) where: Base-Base interactions energy: -1886.147 where: short stacking energy: -780.017 Base-Backbone interact. energy: -3.207 local terms energy: -797.189695 where: bonds (distance) C4'-P energy: -145.993 bonds (distance) P-C4' energy: -172.534 flat angles C4'-P-C4' energy: -166.383 flat angles P-C4'-P energy: -97.786 tors. eta vs tors. theta energy: -214.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2553.800875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.800875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.800875 (E_RNA) where: Base-Base interactions energy: -1755.183 where: short stacking energy: -736.761 Base-Backbone interact. energy: -1.795 local terms energy: -796.822678 where: bonds (distance) C4'-P energy: -148.438 bonds (distance) P-C4' energy: -159.383 flat angles C4'-P-C4' energy: -170.179 flat angles P-C4'-P energy: -120.845 tors. eta vs tors. theta energy: -197.978 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: 5, replica: 4 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2568.260067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.260067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.260067 (E_RNA) where: Base-Base interactions energy: -1774.131 where: short stacking energy: -751.782 Base-Backbone interact. energy: -4.535 local terms energy: -789.593496 where: bonds (distance) C4'-P energy: -138.694 bonds (distance) P-C4' energy: -175.858 flat angles C4'-P-C4' energy: -162.929 flat angles P-C4'-P energy: -116.178 tors. eta vs tors. theta energy: -195.934 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: 7 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -2382.838870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.838870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.838870 (E_RNA) where: Base-Base interactions energy: -1616.842 where: short stacking energy: -667.823 Base-Backbone interact. energy: -4.211 local terms energy: -761.785783 where: bonds (distance) C4'-P energy: -136.648 bonds (distance) P-C4' energy: -160.116 flat angles C4'-P-C4' energy: -163.129 flat angles P-C4'-P energy: -112.008 tors. eta vs tors. theta energy: -189.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -2165.635930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.635930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.635930 (E_RNA) where: Base-Base interactions energy: -1474.782 where: short stacking energy: -626.682 Base-Backbone interact. energy: -2.530 local terms energy: -688.323852 where: bonds (distance) C4'-P energy: -113.311 bonds (distance) P-C4' energy: -158.781 flat angles C4'-P-C4' energy: -143.923 flat angles P-C4'-P energy: -111.571 tors. eta vs tors. theta energy: -160.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1795.002998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.002998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.002998 (E_RNA) where: Base-Base interactions energy: -1178.182 where: short stacking energy: -490.426 Base-Backbone interact. energy: -4.432 local terms energy: -612.389101 where: bonds (distance) C4'-P energy: -130.800 bonds (distance) P-C4' energy: -142.306 flat angles C4'-P-C4' energy: -142.096 flat angles P-C4'-P energy: -87.846 tors. eta vs tors. theta energy: -109.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1318.629788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.629788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.629788 (E_RNA) where: Base-Base interactions energy: -799.046 where: short stacking energy: -363.725 Base-Backbone interact. energy: -3.081 local terms energy: -516.502236 where: bonds (distance) C4'-P energy: -132.738 bonds (distance) P-C4' energy: -134.272 flat angles C4'-P-C4' energy: -123.695 flat angles P-C4'-P energy: -74.953 tors. eta vs tors. theta energy: -50.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -929.905873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.905873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.905873 (E_RNA) where: Base-Base interactions energy: -487.884 where: short stacking energy: -265.820 Base-Backbone interact. energy: 5.094 local terms energy: -447.115353 where: bonds (distance) C4'-P energy: -124.629 bonds (distance) P-C4' energy: -151.379 flat angles C4'-P-C4' energy: -98.139 flat angles P-C4'-P energy: -59.065 tors. eta vs tors. theta energy: -13.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -3049.503674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.503674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.503674 (E_RNA) where: Base-Base interactions energy: -2157.578 where: short stacking energy: -854.059 Base-Backbone interact. energy: -3.265 local terms energy: -888.660765 where: bonds (distance) C4'-P energy: -160.843 bonds (distance) P-C4' energy: -175.451 flat angles C4'-P-C4' energy: -189.138 flat angles P-C4'-P energy: -130.728 tors. eta vs tors. theta energy: -232.501 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: 2, replica: 1 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2837.501993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.501993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.501993 (E_RNA) where: Base-Base interactions energy: -1990.808 where: short stacking energy: -839.991 Base-Backbone interact. energy: -4.233 local terms energy: -842.460904 where: bonds (distance) C4'-P energy: -158.257 bonds (distance) P-C4' energy: -150.315 flat angles C4'-P-C4' energy: -188.079 flat angles P-C4'-P energy: -115.866 tors. eta vs tors. theta energy: -229.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2703.556837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.556837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.556837 (E_RNA) where: Base-Base interactions energy: -1879.729 where: short stacking energy: -764.911 Base-Backbone interact. energy: -3.443 local terms energy: -820.385318 where: bonds (distance) C4'-P energy: -150.940 bonds (distance) P-C4' energy: -176.114 flat angles C4'-P-C4' energy: -177.687 flat angles P-C4'-P energy: -108.792 tors. eta vs tors. theta energy: -206.853 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: 8 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2595.945577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.945577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.945577 (E_RNA) where: Base-Base interactions energy: -1804.809 where: short stacking energy: -771.953 Base-Backbone interact. energy: 1.594 local terms energy: -792.730487 where: bonds (distance) C4'-P energy: -147.682 bonds (distance) P-C4' energy: -158.567 flat angles C4'-P-C4' energy: -164.306 flat angles P-C4'-P energy: -109.227 tors. eta vs tors. theta energy: -212.949 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: 4 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2541.630633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.630633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.630633 (E_RNA) where: Base-Base interactions energy: -1799.040 where: short stacking energy: -732.024 Base-Backbone interact. energy: -0.306 local terms energy: -742.284073 where: bonds (distance) C4'-P energy: -130.183 bonds (distance) P-C4' energy: -156.891 flat angles C4'-P-C4' energy: -153.194 flat angles P-C4'-P energy: -101.839 tors. eta vs tors. theta energy: -200.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -2397.254186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.254186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.254186 (E_RNA) where: Base-Base interactions energy: -1655.675 where: short stacking energy: -696.653 Base-Backbone interact. energy: -4.615 local terms energy: -736.964022 where: bonds (distance) C4'-P energy: -144.137 bonds (distance) P-C4' energy: -131.734 flat angles C4'-P-C4' energy: -163.995 flat angles P-C4'-P energy: -118.088 tors. eta vs tors. theta energy: -179.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -2121.577987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.577987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.577987 (E_RNA) where: Base-Base interactions energy: -1475.358 where: short stacking energy: -645.778 Base-Backbone interact. energy: -3.363 local terms energy: -642.856385 where: bonds (distance) C4'-P energy: -131.133 bonds (distance) P-C4' energy: -144.970 flat angles C4'-P-C4' energy: -125.529 flat angles P-C4'-P energy: -80.711 tors. eta vs tors. theta energy: -160.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1756.970640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.970640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.970640 (E_RNA) where: Base-Base interactions energy: -1152.910 where: short stacking energy: -552.805 Base-Backbone interact. energy: 0.784 local terms energy: -604.844235 where: bonds (distance) C4'-P energy: -129.937 bonds (distance) P-C4' energy: -127.259 flat angles C4'-P-C4' energy: -145.749 flat angles P-C4'-P energy: -86.312 tors. eta vs tors. theta energy: -115.587 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: 142 Temperature: 1.300000 Total energy: -1317.010458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.010458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.010458 (E_RNA) where: Base-Base interactions energy: -770.821 where: short stacking energy: -351.805 Base-Backbone interact. energy: -0.545 local terms energy: -545.644634 where: bonds (distance) C4'-P energy: -127.968 bonds (distance) P-C4' energy: -144.325 flat angles C4'-P-C4' energy: -138.935 flat angles P-C4'-P energy: -90.128 tors. eta vs tors. theta energy: -44.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -875.761702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.761702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.761702 (E_RNA) where: Base-Base interactions energy: -432.341 where: short stacking energy: -223.383 Base-Backbone interact. energy: 1.385 local terms energy: -444.806070 where: bonds (distance) C4'-P energy: -137.136 bonds (distance) P-C4' energy: -145.346 flat angles C4'-P-C4' energy: -107.036 flat angles P-C4'-P energy: -71.616 tors. eta vs tors. theta energy: 16.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -3046.980693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.980693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.980693 (E_RNA) where: Base-Base interactions energy: -2174.256 where: short stacking energy: -858.550 Base-Backbone interact. energy: -4.426 local terms energy: -868.298207 where: bonds (distance) C4'-P energy: -149.572 bonds (distance) P-C4' energy: -161.989 flat angles C4'-P-C4' energy: -184.550 flat angles P-C4'-P energy: -136.069 tors. eta vs tors. theta energy: -236.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2846.112267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.112267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.112267 (E_RNA) where: Base-Base interactions energy: -1981.953 where: short stacking energy: -827.612 Base-Backbone interact. energy: -4.653 local terms energy: -859.505349 where: bonds (distance) C4'-P energy: -160.455 bonds (distance) P-C4' energy: -165.393 flat angles C4'-P-C4' energy: -178.637 flat angles P-C4'-P energy: -119.420 tors. eta vs tors. theta energy: -235.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2730.610251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.610251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.610251 (E_RNA) where: Base-Base interactions energy: -1908.953 where: short stacking energy: -791.496 Base-Backbone interact. energy: -1.615 local terms energy: -820.042674 where: bonds (distance) C4'-P energy: -151.356 bonds (distance) P-C4' energy: -154.102 flat angles C4'-P-C4' energy: -181.443 flat angles P-C4'-P energy: -121.478 tors. eta vs tors. theta energy: -211.665 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: 8 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2558.808963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.808963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.808963 (E_RNA) where: Base-Base interactions energy: -1801.470 where: short stacking energy: -771.897 Base-Backbone interact. energy: -5.902 local terms energy: -751.436109 where: bonds (distance) C4'-P energy: -134.683 bonds (distance) P-C4' energy: -150.872 flat angles C4'-P-C4' energy: -166.004 flat angles P-C4'-P energy: -95.081 tors. eta vs tors. theta energy: -204.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2501.389792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.389792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.389792 (E_RNA) where: Base-Base interactions energy: -1743.069 where: short stacking energy: -741.511 Base-Backbone interact. energy: 1.990 local terms energy: -760.310316 where: bonds (distance) C4'-P energy: -150.477 bonds (distance) P-C4' energy: -143.422 flat angles C4'-P-C4' energy: -154.677 flat angles P-C4'-P energy: -117.644 tors. eta vs tors. theta energy: -194.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -2400.480611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.480611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.480611 (E_RNA) where: Base-Base interactions energy: -1665.351 where: short stacking energy: -708.908 Base-Backbone interact. energy: -3.401 local terms energy: -731.728495 where: bonds (distance) C4'-P energy: -125.593 bonds (distance) P-C4' energy: -138.667 flat angles C4'-P-C4' energy: -164.649 flat angles P-C4'-P energy: -114.457 tors. eta vs tors. theta energy: -188.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -2179.879194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.879194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.879194 (E_RNA) where: Base-Base interactions energy: -1469.139 where: short stacking energy: -624.653 Base-Backbone interact. energy: 3.880 local terms energy: -714.619929 where: bonds (distance) C4'-P energy: -153.403 bonds (distance) P-C4' energy: -163.241 flat angles C4'-P-C4' energy: -149.654 flat angles P-C4'-P energy: -80.158 tors. eta vs tors. theta energy: -168.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1747.118278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.118278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.118278 (E_RNA) where: Base-Base interactions energy: -1146.494 where: short stacking energy: -508.257 Base-Backbone interact. energy: -0.448 local terms energy: -600.176837 where: bonds (distance) C4'-P energy: -123.743 bonds (distance) P-C4' energy: -132.472 flat angles C4'-P-C4' energy: -142.404 flat angles P-C4'-P energy: -93.819 tors. eta vs tors. theta energy: -107.739 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: 143 Temperature: 1.300000 Total energy: -1318.001734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.001734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.001734 (E_RNA) where: Base-Base interactions energy: -789.356 where: short stacking energy: -377.848 Base-Backbone interact. energy: -3.559 local terms energy: -525.086877 where: bonds (distance) C4'-P energy: -119.005 bonds (distance) P-C4' energy: -136.975 flat angles C4'-P-C4' energy: -152.561 flat angles P-C4'-P energy: -75.228 tors. eta vs tors. theta energy: -41.317 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: 10, replica: 10 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -861.311666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.311666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.311666 (E_RNA) where: Base-Base interactions energy: -442.029 where: short stacking energy: -233.211 Base-Backbone interact. energy: 3.308 local terms energy: -422.591270 where: bonds (distance) C4'-P energy: -121.945 bonds (distance) P-C4' energy: -133.765 flat angles C4'-P-C4' energy: -100.314 flat angles P-C4'-P energy: -68.537 tors. eta vs tors. theta energy: 1.969 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: 3 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -3034.991196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.991196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.991196 (E_RNA) where: Base-Base interactions energy: -2166.926 where: short stacking energy: -866.396 Base-Backbone interact. energy: -4.914 local terms energy: -863.151478 where: bonds (distance) C4'-P energy: -166.590 bonds (distance) P-C4' energy: -161.627 flat angles C4'-P-C4' energy: -178.017 flat angles P-C4'-P energy: -131.530 tors. eta vs tors. theta energy: -225.388 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: 2, replica: 1 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2825.746379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.746379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.746379 (E_RNA) where: Base-Base interactions energy: -1958.055 where: short stacking energy: -821.266 Base-Backbone interact. energy: 0.678 local terms energy: -868.369455 where: bonds (distance) C4'-P energy: -150.833 bonds (distance) P-C4' energy: -167.747 flat angles C4'-P-C4' energy: -191.680 flat angles P-C4'-P energy: -127.568 tors. eta vs tors. theta energy: -230.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2695.291627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.291627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.291627 (E_RNA) where: Base-Base interactions energy: -1860.039 where: short stacking energy: -769.906 Base-Backbone interact. energy: -5.162 local terms energy: -830.090443 where: bonds (distance) C4'-P energy: -157.199 bonds (distance) P-C4' energy: -163.994 flat angles C4'-P-C4' energy: -182.724 flat angles P-C4'-P energy: -122.536 tors. eta vs tors. theta energy: -203.638 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: 4, replica: 8 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2585.151958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.151958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.151958 (E_RNA) where: Base-Base interactions energy: -1778.532 where: short stacking energy: -738.079 Base-Backbone interact. energy: -6.932 local terms energy: -799.687540 where: bonds (distance) C4'-P energy: -154.232 bonds (distance) P-C4' energy: -161.174 flat angles C4'-P-C4' energy: -181.324 flat angles P-C4'-P energy: -100.556 tors. eta vs tors. theta energy: -202.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2480.573854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.573854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.573854 (E_RNA) where: Base-Base interactions energy: -1734.224 where: short stacking energy: -740.380 Base-Backbone interact. energy: 2.545 local terms energy: -748.894908 where: bonds (distance) C4'-P energy: -129.143 bonds (distance) P-C4' energy: -150.501 flat angles C4'-P-C4' energy: -156.286 flat angles P-C4'-P energy: -109.166 tors. eta vs tors. theta energy: -203.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -2352.755779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.755779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.755779 (E_RNA) where: Base-Base interactions energy: -1608.997 where: short stacking energy: -665.693 Base-Backbone interact. energy: -3.508 local terms energy: -740.251203 where: bonds (distance) C4'-P energy: -134.331 bonds (distance) P-C4' energy: -143.819 flat angles C4'-P-C4' energy: -161.243 flat angles P-C4'-P energy: -108.544 tors. eta vs tors. theta energy: -192.313 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: 144 Temperature: 1.200000 Total energy: -2133.923792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.923792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.923792 (E_RNA) where: Base-Base interactions energy: -1441.767 where: short stacking energy: -631.208 Base-Backbone interact. energy: 1.238 local terms energy: -693.394896 where: bonds (distance) C4'-P energy: -125.797 bonds (distance) P-C4' energy: -141.582 flat angles C4'-P-C4' energy: -155.863 flat angles P-C4'-P energy: -102.626 tors. eta vs tors. theta energy: -167.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1691.135697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.135697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.135697 (E_RNA) where: Base-Base interactions energy: -1061.793 where: short stacking energy: -465.708 Base-Backbone interact. energy: -4.425 local terms energy: -624.918053 where: bonds (distance) C4'-P energy: -140.600 bonds (distance) P-C4' energy: -146.060 flat angles C4'-P-C4' energy: -160.462 flat angles P-C4'-P energy: -87.940 tors. eta vs tors. theta energy: -89.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -1371.821176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.821176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.821176 (E_RNA) where: Base-Base interactions energy: -830.067 where: short stacking energy: -390.582 Base-Backbone interact. energy: -2.929 local terms energy: -538.825993 where: bonds (distance) C4'-P energy: -135.998 bonds (distance) P-C4' energy: -151.285 flat angles C4'-P-C4' energy: -126.400 flat angles P-C4'-P energy: -79.344 tors. eta vs tors. theta energy: -45.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -870.321512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.321512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.321512 (E_RNA) where: Base-Base interactions energy: -462.765 where: short stacking energy: -260.394 Base-Backbone interact. energy: 2.551 local terms energy: -410.107040 where: bonds (distance) C4'-P energy: -98.302 bonds (distance) P-C4' energy: -140.392 flat angles C4'-P-C4' energy: -107.672 flat angles P-C4'-P energy: -66.968 tors. eta vs tors. theta energy: 3.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -3041.501323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.501323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.501323 (E_RNA) where: Base-Base interactions energy: -2148.141 where: short stacking energy: -857.299 Base-Backbone interact. energy: -3.834 local terms energy: -889.526291 where: bonds (distance) C4'-P energy: -156.746 bonds (distance) P-C4' energy: -177.677 flat angles C4'-P-C4' energy: -184.922 flat angles P-C4'-P energy: -131.855 tors. eta vs tors. theta energy: -238.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2818.840241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.840241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.840241 (E_RNA) where: Base-Base interactions energy: -1977.804 where: short stacking energy: -835.173 Base-Backbone interact. energy: -3.837 local terms energy: -837.200098 where: bonds (distance) C4'-P energy: -138.291 bonds (distance) P-C4' energy: -159.737 flat angles C4'-P-C4' energy: -189.288 flat angles P-C4'-P energy: -121.222 tors. eta vs tors. theta energy: -228.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2658.415081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.415081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.415081 (E_RNA) where: Base-Base interactions energy: -1841.414 where: short stacking energy: -763.561 Base-Backbone interact. energy: -1.527 local terms energy: -815.473249 where: bonds (distance) C4'-P energy: -155.799 bonds (distance) P-C4' energy: -161.196 flat angles C4'-P-C4' energy: -173.662 flat angles P-C4'-P energy: -121.291 tors. eta vs tors. theta energy: -203.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2588.850962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.850962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.850962 (E_RNA) where: Base-Base interactions energy: -1769.608 where: short stacking energy: -757.986 Base-Backbone interact. energy: -2.745 local terms energy: -816.498778 where: bonds (distance) C4'-P energy: -140.010 bonds (distance) P-C4' energy: -170.780 flat angles C4'-P-C4' energy: -182.499 flat angles P-C4'-P energy: -107.612 tors. eta vs tors. theta energy: -215.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2467.318397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.318397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.318397 (E_RNA) where: Base-Base interactions energy: -1680.355 where: short stacking energy: -701.910 Base-Backbone interact. energy: -1.790 local terms energy: -785.173650 where: bonds (distance) C4'-P energy: -160.965 bonds (distance) P-C4' energy: -151.081 flat angles C4'-P-C4' energy: -172.871 flat angles P-C4'-P energy: -105.125 tors. eta vs tors. theta energy: -195.132 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: 7 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -2362.219244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.219244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.219244 (E_RNA) where: Base-Base interactions energy: -1662.201 where: short stacking energy: -676.128 Base-Backbone interact. energy: 1.809 local terms energy: -701.826965 where: bonds (distance) C4'-P energy: -138.590 bonds (distance) P-C4' energy: -137.437 flat angles C4'-P-C4' energy: -160.909 flat angles P-C4'-P energy: -100.267 tors. eta vs tors. theta energy: -164.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -2195.409247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.409247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.409247 (E_RNA) where: Base-Base interactions energy: -1505.045 where: short stacking energy: -643.437 Base-Backbone interact. energy: 8.397 local terms energy: -698.760417 where: bonds (distance) C4'-P energy: -111.227 bonds (distance) P-C4' energy: -154.115 flat angles C4'-P-C4' energy: -136.441 flat angles P-C4'-P energy: -116.425 tors. eta vs tors. theta energy: -180.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1718.493329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.493329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.493329 (E_RNA) where: Base-Base interactions energy: -1114.040 where: short stacking energy: -502.761 Base-Backbone interact. energy: -0.892 local terms energy: -603.561269 where: bonds (distance) C4'-P energy: -124.800 bonds (distance) P-C4' energy: -142.319 flat angles C4'-P-C4' energy: -160.073 flat angles P-C4'-P energy: -81.497 tors. eta vs tors. theta energy: -94.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1378.415528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.415528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.415528 (E_RNA) where: Base-Base interactions energy: -868.600 where: short stacking energy: -400.349 Base-Backbone interact. energy: -1.551 local terms energy: -508.264274 where: bonds (distance) C4'-P energy: -125.798 bonds (distance) P-C4' energy: -135.933 flat angles C4'-P-C4' energy: -122.803 flat angles P-C4'-P energy: -73.890 tors. eta vs tors. theta energy: -49.840 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: 10 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -832.767104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.767104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.767104 (E_RNA) where: Base-Base interactions energy: -417.047 where: short stacking energy: -232.386 Base-Backbone interact. energy: 0.283 local terms energy: -416.003281 where: bonds (distance) C4'-P energy: -117.283 bonds (distance) P-C4' energy: -144.993 flat angles C4'-P-C4' energy: -81.895 flat angles P-C4'-P energy: -77.150 tors. eta vs tors. theta energy: 5.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -3080.055895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.055895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.055895 (E_RNA) where: Base-Base interactions energy: -2166.477 where: short stacking energy: -861.079 Base-Backbone interact. energy: -7.582 local terms energy: -905.997299 where: bonds (distance) C4'-P energy: -169.081 bonds (distance) P-C4' energy: -175.114 flat angles C4'-P-C4' energy: -195.035 flat angles P-C4'-P energy: -130.536 tors. eta vs tors. theta energy: -236.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2860.227850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.227850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.227850 (E_RNA) where: Base-Base interactions energy: -1982.004 where: short stacking energy: -845.669 Base-Backbone interact. energy: -4.503 local terms energy: -873.720723 where: bonds (distance) C4'-P energy: -159.836 bonds (distance) P-C4' energy: -157.264 flat angles C4'-P-C4' energy: -187.784 flat angles P-C4'-P energy: -134.713 tors. eta vs tors. theta energy: -234.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2703.169845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.169845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.169845 (E_RNA) where: Base-Base interactions energy: -1865.761 where: short stacking energy: -789.405 Base-Backbone interact. energy: -4.611 local terms energy: -832.797296 where: bonds (distance) C4'-P energy: -164.865 bonds (distance) P-C4' energy: -159.410 flat angles C4'-P-C4' energy: -180.244 flat angles P-C4'-P energy: -112.506 tors. eta vs tors. theta energy: -215.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2561.081868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.081868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.081868 (E_RNA) where: Base-Base interactions energy: -1768.801 where: short stacking energy: -768.951 Base-Backbone interact. energy: -4.066 local terms energy: -788.215159 where: bonds (distance) C4'-P energy: -144.781 bonds (distance) P-C4' energy: -166.630 flat angles C4'-P-C4' energy: -165.989 flat angles P-C4'-P energy: -107.807 tors. eta vs tors. theta energy: -203.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2455.901757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.901757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.901757 (E_RNA) where: Base-Base interactions energy: -1702.991 where: short stacking energy: -723.543 Base-Backbone interact. energy: 3.144 local terms energy: -756.054619 where: bonds (distance) C4'-P energy: -141.901 bonds (distance) P-C4' energy: -148.188 flat angles C4'-P-C4' energy: -160.412 flat angles P-C4'-P energy: -114.074 tors. eta vs tors. theta energy: -191.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -2362.351768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.351768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.351768 (E_RNA) where: Base-Base interactions energy: -1610.142 where: short stacking energy: -673.394 Base-Backbone interact. energy: 2.425 local terms energy: -754.634828 where: bonds (distance) C4'-P energy: -137.713 bonds (distance) P-C4' energy: -165.844 flat angles C4'-P-C4' energy: -167.757 flat angles P-C4'-P energy: -108.027 tors. eta vs tors. theta energy: -175.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -2115.256511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.256511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.256511 (E_RNA) where: Base-Base interactions energy: -1409.005 where: short stacking energy: -624.820 Base-Backbone interact. energy: -2.273 local terms energy: -703.979107 where: bonds (distance) C4'-P energy: -137.885 bonds (distance) P-C4' energy: -127.317 flat angles C4'-P-C4' energy: -162.775 flat angles P-C4'-P energy: -105.328 tors. eta vs tors. theta energy: -170.674 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: 2 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1718.951953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.951953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.951953 (E_RNA) where: Base-Base interactions energy: -1109.037 where: short stacking energy: -454.708 Base-Backbone interact. energy: -2.509 local terms energy: -607.406419 where: bonds (distance) C4'-P energy: -141.241 bonds (distance) P-C4' energy: -156.150 flat angles C4'-P-C4' energy: -139.964 flat angles P-C4'-P energy: -82.648 tors. eta vs tors. theta energy: -87.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1412.337142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.337142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.337142 (E_RNA) where: Base-Base interactions energy: -882.940 where: short stacking energy: -383.441 Base-Backbone interact. energy: 0.673 local terms energy: -530.070590 where: bonds (distance) C4'-P energy: -135.651 bonds (distance) P-C4' energy: -129.867 flat angles C4'-P-C4' energy: -120.848 flat angles P-C4'-P energy: -81.534 tors. eta vs tors. theta energy: -62.170 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: 10, replica: 10 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -844.612079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.612079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.612079 (E_RNA) where: Base-Base interactions energy: -448.168 where: short stacking energy: -239.383 Base-Backbone interact. energy: 0.199 local terms energy: -396.643419 where: bonds (distance) C4'-P energy: -120.483 bonds (distance) P-C4' energy: -128.294 flat angles C4'-P-C4' energy: -111.882 flat angles P-C4'-P energy: -65.220 tors. eta vs tors. theta energy: 29.235 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: 3 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -3051.462162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.462162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.462162 (E_RNA) where: Base-Base interactions energy: -2185.061 where: short stacking energy: -846.476 Base-Backbone interact. energy: -2.889 local terms energy: -863.511795 where: bonds (distance) C4'-P energy: -148.753 bonds (distance) P-C4' energy: -165.687 flat angles C4'-P-C4' energy: -178.674 flat angles P-C4'-P energy: -135.077 tors. eta vs tors. theta energy: -235.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2879.281203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.281203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.281203 (E_RNA) where: Base-Base interactions energy: -1992.647 where: short stacking energy: -828.156 Base-Backbone interact. energy: -3.280 local terms energy: -883.353686 where: bonds (distance) C4'-P energy: -136.517 bonds (distance) P-C4' energy: -191.666 flat angles C4'-P-C4' energy: -186.173 flat angles P-C4'-P energy: -134.511 tors. eta vs tors. theta energy: -234.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2661.359920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.359920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.359920 (E_RNA) where: Base-Base interactions energy: -1853.348 where: short stacking energy: -762.467 Base-Backbone interact. energy: -3.922 local terms energy: -804.089366 where: bonds (distance) C4'-P energy: -162.529 bonds (distance) P-C4' energy: -163.100 flat angles C4'-P-C4' energy: -161.102 flat angles P-C4'-P energy: -115.397 tors. eta vs tors. theta energy: -201.961 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: 4 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2547.693822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.693822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.693822 (E_RNA) where: Base-Base interactions energy: -1755.653 where: short stacking energy: -730.111 Base-Backbone interact. energy: -0.886 local terms energy: -791.154589 where: bonds (distance) C4'-P energy: -147.157 bonds (distance) P-C4' energy: -162.223 flat angles C4'-P-C4' energy: -169.573 flat angles P-C4'-P energy: -112.612 tors. eta vs tors. theta energy: -199.590 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: 8 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2496.986774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.986774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.986774 (E_RNA) where: Base-Base interactions energy: -1757.531 where: short stacking energy: -732.459 Base-Backbone interact. energy: -2.513 local terms energy: -736.942645 where: bonds (distance) C4'-P energy: -147.500 bonds (distance) P-C4' energy: -146.541 flat angles C4'-P-C4' energy: -165.021 flat angles P-C4'-P energy: -81.476 tors. eta vs tors. theta energy: -196.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -2425.462410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.462410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.462410 (E_RNA) where: Base-Base interactions energy: -1702.075 where: short stacking energy: -704.263 Base-Backbone interact. energy: 0.101 local terms energy: -723.488233 where: bonds (distance) C4'-P energy: -130.387 bonds (distance) P-C4' energy: -139.214 flat angles C4'-P-C4' energy: -160.689 flat angles P-C4'-P energy: -103.118 tors. eta vs tors. theta energy: -190.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -2094.079366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.079366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.079366 (E_RNA) where: Base-Base interactions energy: -1408.893 where: short stacking energy: -608.085 Base-Backbone interact. energy: -2.260 local terms energy: -682.926204 where: bonds (distance) C4'-P energy: -127.749 bonds (distance) P-C4' energy: -154.328 flat angles C4'-P-C4' energy: -137.528 flat angles P-C4'-P energy: -113.317 tors. eta vs tors. theta energy: -150.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1711.166437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.166437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.166437 (E_RNA) where: Base-Base interactions energy: -1087.460 where: short stacking energy: -482.416 Base-Backbone interact. energy: -0.101 local terms energy: -624.354732 where: bonds (distance) C4'-P energy: -123.172 bonds (distance) P-C4' energy: -146.606 flat angles C4'-P-C4' energy: -160.549 flat angles P-C4'-P energy: -82.609 tors. eta vs tors. theta energy: -111.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.749 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1483.464480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.464480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.464480 (E_RNA) where: Base-Base interactions energy: -908.755 where: short stacking energy: -416.667 Base-Backbone interact. energy: -0.263 local terms energy: -574.446338 where: bonds (distance) C4'-P energy: -127.792 bonds (distance) P-C4' energy: -163.475 flat angles C4'-P-C4' energy: -132.146 flat angles P-C4'-P energy: -89.639 tors. eta vs tors. theta energy: -61.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -925.803959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.803959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.803959 (E_RNA) where: Base-Base interactions energy: -457.076 where: short stacking energy: -239.636 Base-Backbone interact. energy: -2.082 local terms energy: -466.645678 where: bonds (distance) C4'-P energy: -119.352 bonds (distance) P-C4' energy: -148.474 flat angles C4'-P-C4' energy: -135.628 flat angles P-C4'-P energy: -71.980 tors. eta vs tors. theta energy: 8.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -3043.648184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.648184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.648184 (E_RNA) where: Base-Base interactions energy: -2143.583 where: short stacking energy: -853.075 Base-Backbone interact. energy: -6.009 local terms energy: -894.056361 where: bonds (distance) C4'-P energy: -148.911 bonds (distance) P-C4' energy: -189.542 flat angles C4'-P-C4' energy: -189.172 flat angles P-C4'-P energy: -131.817 tors. eta vs tors. theta energy: -234.615 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: 1 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2863.768891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.768891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.768891 (E_RNA) where: Base-Base interactions energy: -1986.410 where: short stacking energy: -814.778 Base-Backbone interact. energy: -5.232 local terms energy: -872.127154 where: bonds (distance) C4'-P energy: -164.743 bonds (distance) P-C4' energy: -177.650 flat angles C4'-P-C4' energy: -179.062 flat angles P-C4'-P energy: -128.709 tors. eta vs tors. theta energy: -221.962 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: 5 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2675.125532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.125532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.125532 (E_RNA) where: Base-Base interactions energy: -1847.634 where: short stacking energy: -784.290 Base-Backbone interact. energy: 0.146 local terms energy: -827.637811 where: bonds (distance) C4'-P energy: -159.064 bonds (distance) P-C4' energy: -167.616 flat angles C4'-P-C4' energy: -190.103 flat angles P-C4'-P energy: -112.593 tors. eta vs tors. theta energy: -198.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2600.817665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.817665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.817665 (E_RNA) where: Base-Base interactions energy: -1800.375 where: short stacking energy: -755.124 Base-Backbone interact. energy: -1.603 local terms energy: -798.839535 where: bonds (distance) C4'-P energy: -143.098 bonds (distance) P-C4' energy: -156.103 flat angles C4'-P-C4' energy: -176.952 flat angles P-C4'-P energy: -118.888 tors. eta vs tors. theta energy: -203.799 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: 5, replica: 7 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2522.228458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.228458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.228458 (E_RNA) where: Base-Base interactions energy: -1753.710 where: short stacking energy: -731.230 Base-Backbone interact. energy: -4.734 local terms energy: -763.784662 where: bonds (distance) C4'-P energy: -132.131 bonds (distance) P-C4' energy: -146.612 flat angles C4'-P-C4' energy: -172.937 flat angles P-C4'-P energy: -116.381 tors. eta vs tors. theta energy: -195.723 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: 6, replica: 8 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -2379.821921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.821921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.821921 (E_RNA) where: Base-Base interactions energy: -1651.264 where: short stacking energy: -697.054 Base-Backbone interact. energy: 1.616 local terms energy: -730.174186 where: bonds (distance) C4'-P energy: -144.394 bonds (distance) P-C4' energy: -136.155 flat angles C4'-P-C4' energy: -169.857 flat angles P-C4'-P energy: -85.883 tors. eta vs tors. theta energy: -193.884 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: 148 Temperature: 1.200000 Total energy: -2048.114915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.114915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.114915 (E_RNA) where: Base-Base interactions energy: -1368.990 where: short stacking energy: -592.405 Base-Backbone interact. energy: -2.810 local terms energy: -676.315407 where: bonds (distance) C4'-P energy: -134.187 bonds (distance) P-C4' energy: -156.954 flat angles C4'-P-C4' energy: -155.186 flat angles P-C4'-P energy: -98.837 tors. eta vs tors. theta energy: -131.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1687.399932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.399932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.399932 (E_RNA) where: Base-Base interactions energy: -1116.050 where: short stacking energy: -469.924 Base-Backbone interact. energy: -3.868 local terms energy: -567.482078 where: bonds (distance) C4'-P energy: -91.794 bonds (distance) P-C4' energy: -140.974 flat angles C4'-P-C4' energy: -144.164 flat angles P-C4'-P energy: -92.280 tors. eta vs tors. theta energy: -98.270 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: 148 Temperature: 1.300000 Total energy: -1506.946245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.946245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.946245 (E_RNA) where: Base-Base interactions energy: -944.012 where: short stacking energy: -466.099 Base-Backbone interact. energy: 0.929 local terms energy: -563.863404 where: bonds (distance) C4'-P energy: -119.954 bonds (distance) P-C4' energy: -139.073 flat angles C4'-P-C4' energy: -148.627 flat angles P-C4'-P energy: -86.612 tors. eta vs tors. theta energy: -69.597 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: 10, replica: 10 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -902.870903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.870903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.870903 (E_RNA) where: Base-Base interactions energy: -435.609 where: short stacking energy: -247.092 Base-Backbone interact. energy: 0.045 local terms energy: -467.307370 where: bonds (distance) C4'-P energy: -137.798 bonds (distance) P-C4' energy: -141.056 flat angles C4'-P-C4' energy: -127.525 flat angles P-C4'-P energy: -65.767 tors. eta vs tors. theta energy: 4.839 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: 3 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -3040.362007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.362007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.362007 (E_RNA) where: Base-Base interactions energy: -2126.421 where: short stacking energy: -850.621 Base-Backbone interact. energy: -10.706 local terms energy: -903.235264 where: bonds (distance) C4'-P energy: -160.466 bonds (distance) P-C4' energy: -182.224 flat angles C4'-P-C4' energy: -171.214 flat angles P-C4'-P energy: -144.466 tors. eta vs tors. theta energy: -244.865 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: 149 Temperature: 0.950000 Total energy: -2873.390972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.390972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.390972 (E_RNA) where: Base-Base interactions energy: -2022.268 where: short stacking energy: -831.136 Base-Backbone interact. energy: -5.646 local terms energy: -845.477103 where: bonds (distance) C4'-P energy: -153.056 bonds (distance) P-C4' energy: -161.664 flat angles C4'-P-C4' energy: -171.803 flat angles P-C4'-P energy: -128.995 tors. eta vs tors. theta energy: -229.959 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: 5 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2646.422524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.422524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.422524 (E_RNA) where: Base-Base interactions energy: -1865.561 where: short stacking energy: -788.464 Base-Backbone interact. energy: -1.457 local terms energy: -779.404670 where: bonds (distance) C4'-P energy: -144.053 bonds (distance) P-C4' energy: -148.248 flat angles C4'-P-C4' energy: -178.422 flat angles P-C4'-P energy: -122.487 tors. eta vs tors. theta energy: -186.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2629.375642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.375642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.375642 (E_RNA) where: Base-Base interactions energy: -1823.028 where: short stacking energy: -751.797 Base-Backbone interact. energy: 0.003 local terms energy: -806.350672 where: bonds (distance) C4'-P energy: -143.399 bonds (distance) P-C4' energy: -163.237 flat angles C4'-P-C4' energy: -183.947 flat angles P-C4'-P energy: -114.856 tors. eta vs tors. theta energy: -200.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2525.264394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.264394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.264394 (E_RNA) where: Base-Base interactions energy: -1759.767 where: short stacking energy: -745.914 Base-Backbone interact. energy: -3.878 local terms energy: -761.619597 where: bonds (distance) C4'-P energy: -133.731 bonds (distance) P-C4' energy: -150.813 flat angles C4'-P-C4' energy: -169.047 flat angles P-C4'-P energy: -102.026 tors. eta vs tors. theta energy: -206.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -2398.534042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.534042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.534042 (E_RNA) where: Base-Base interactions energy: -1682.484 where: short stacking energy: -713.840 Base-Backbone interact. energy: -1.773 local terms energy: -714.276929 where: bonds (distance) C4'-P energy: -122.273 bonds (distance) P-C4' energy: -139.919 flat angles C4'-P-C4' energy: -159.182 flat angles P-C4'-P energy: -93.244 tors. eta vs tors. theta energy: -199.659 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: 6 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -2082.472917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.472917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.472917 (E_RNA) where: Base-Base interactions energy: -1378.094 where: short stacking energy: -606.106 Base-Backbone interact. energy: -1.136 local terms energy: -703.242446 where: bonds (distance) C4'-P energy: -138.443 bonds (distance) P-C4' energy: -152.408 flat angles C4'-P-C4' energy: -156.595 flat angles P-C4'-P energy: -99.636 tors. eta vs tors. theta energy: -156.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1812.892965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.892965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.892965 (E_RNA) where: Base-Base interactions energy: -1217.444 where: short stacking energy: -529.816 Base-Backbone interact. energy: 2.042 local terms energy: -597.490409 where: bonds (distance) C4'-P energy: -113.187 bonds (distance) P-C4' energy: -139.176 flat angles C4'-P-C4' energy: -154.452 flat angles P-C4'-P energy: -87.585 tors. eta vs tors. theta energy: -103.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1447.525192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.525192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.525192 (E_RNA) where: Base-Base interactions energy: -902.186 where: short stacking energy: -410.258 Base-Backbone interact. energy: -0.962 local terms energy: -544.377721 where: bonds (distance) C4'-P energy: -131.962 bonds (distance) P-C4' energy: -130.369 flat angles C4'-P-C4' energy: -122.756 flat angles P-C4'-P energy: -93.555 tors. eta vs tors. theta energy: -65.736 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: 149 Temperature: 1.350000 Total energy: -934.160667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.160667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.160667 (E_RNA) where: Base-Base interactions energy: -471.742 where: short stacking energy: -252.300 Base-Backbone interact. energy: -1.516 local terms energy: -460.902230 where: bonds (distance) C4'-P energy: -138.208 bonds (distance) P-C4' energy: -149.614 flat angles C4'-P-C4' energy: -113.228 flat angles P-C4'-P energy: -76.210 tors. eta vs tors. theta energy: 16.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -3050.040112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.040112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.040112 (E_RNA) where: Base-Base interactions energy: -2146.949 where: short stacking energy: -884.692 Base-Backbone interact. energy: -4.022 local terms energy: -899.069384 where: bonds (distance) C4'-P energy: -154.221 bonds (distance) P-C4' energy: -160.784 flat angles C4'-P-C4' energy: -192.992 flat angles P-C4'-P energy: -139.241 tors. eta vs tors. theta energy: -251.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2863.668189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.668189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.668189 (E_RNA) where: Base-Base interactions energy: -1993.273 where: short stacking energy: -829.656 Base-Backbone interact. energy: -2.822 local terms energy: -867.572875 where: bonds (distance) C4'-P energy: -158.578 bonds (distance) P-C4' energy: -167.998 flat angles C4'-P-C4' energy: -180.571 flat angles P-C4'-P energy: -134.442 tors. eta vs tors. theta energy: -225.984 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: 3, replica: 5 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2678.678782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.678782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.678782 (E_RNA) where: Base-Base interactions energy: -1843.650 where: short stacking energy: -786.526 Base-Backbone interact. energy: -4.779 local terms energy: -830.250461 where: bonds (distance) C4'-P energy: -164.245 bonds (distance) P-C4' energy: -166.495 flat angles C4'-P-C4' energy: -166.276 flat angles P-C4'-P energy: -129.705 tors. eta vs tors. theta energy: -203.529 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: 150 Temperature: 1.050000 Total energy: -2581.591926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.591926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.591926 (E_RNA) where: Base-Base interactions energy: -1794.702 where: short stacking energy: -744.734 Base-Backbone interact. energy: -2.108 local terms energy: -784.781835 where: bonds (distance) C4'-P energy: -139.089 bonds (distance) P-C4' energy: -167.792 flat angles C4'-P-C4' energy: -158.033 flat angles P-C4'-P energy: -125.506 tors. eta vs tors. theta energy: -194.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2522.045966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.045966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.045966 (E_RNA) where: Base-Base interactions energy: -1741.531 where: short stacking energy: -718.540 Base-Backbone interact. energy: -2.857 local terms energy: -777.657899 where: bonds (distance) C4'-P energy: -151.626 bonds (distance) P-C4' energy: -132.309 flat angles C4'-P-C4' energy: -173.805 flat angles P-C4'-P energy: -113.079 tors. eta vs tors. theta energy: -206.838 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: 8 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -2388.507315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.507315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.507315 (E_RNA) where: Base-Base interactions energy: -1657.099 where: short stacking energy: -660.903 Base-Backbone interact. energy: -3.929 local terms energy: -727.478589 where: bonds (distance) C4'-P energy: -134.156 bonds (distance) P-C4' energy: -153.906 flat angles C4'-P-C4' energy: -163.481 flat angles P-C4'-P energy: -94.100 tors. eta vs tors. theta energy: -181.836 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: 150 Temperature: 1.200000 Total energy: -2070.521738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.521738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.521738 (E_RNA) where: Base-Base interactions energy: -1378.097 where: short stacking energy: -609.153 Base-Backbone interact. energy: -1.046 local terms energy: -691.378577 where: bonds (distance) C4'-P energy: -116.541 bonds (distance) P-C4' energy: -167.850 flat angles C4'-P-C4' energy: -152.484 flat angles P-C4'-P energy: -101.816 tors. eta vs tors. theta energy: -152.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1753.297485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.297485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.297485 (E_RNA) where: Base-Base interactions energy: -1152.161 where: short stacking energy: -490.913 Base-Backbone interact. energy: 2.270 local terms energy: -603.406634 where: bonds (distance) C4'-P energy: -113.418 bonds (distance) P-C4' energy: -150.002 flat angles C4'-P-C4' energy: -134.030 flat angles P-C4'-P energy: -97.569 tors. eta vs tors. theta energy: -108.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1367.775019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.775019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.775019 (E_RNA) where: Base-Base interactions energy: -863.373 where: short stacking energy: -409.937 Base-Backbone interact. energy: -2.735 local terms energy: -501.666981 where: bonds (distance) C4'-P energy: -111.300 bonds (distance) P-C4' energy: -139.792 flat angles C4'-P-C4' energy: -117.044 flat angles P-C4'-P energy: -76.143 tors. eta vs tors. theta energy: -57.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -953.133085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.133085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.133085 (E_RNA) where: Base-Base interactions energy: -490.972 where: short stacking energy: -244.107 Base-Backbone interact. energy: 5.788 local terms energy: -467.948910 where: bonds (distance) C4'-P energy: -126.420 bonds (distance) P-C4' energy: -145.336 flat angles C4'-P-C4' energy: -111.514 flat angles P-C4'-P energy: -61.480 tors. eta vs tors. theta energy: -23.198 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: 1, replica: 3 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -3063.437070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.437070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.437070 (E_RNA) where: Base-Base interactions energy: -2166.184 where: short stacking energy: -871.012 Base-Backbone interact. energy: -9.808 local terms energy: -887.444151 where: bonds (distance) C4'-P energy: -155.912 bonds (distance) P-C4' energy: -156.020 flat angles C4'-P-C4' energy: -191.418 flat angles P-C4'-P energy: -134.202 tors. eta vs tors. theta energy: -249.892 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: 2, replica: 1 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2853.499783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.499783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.499783 (E_RNA) where: Base-Base interactions energy: -2001.993 where: short stacking energy: -835.860 Base-Backbone interact. energy: -3.959 local terms energy: -847.547665 where: bonds (distance) C4'-P energy: -148.078 bonds (distance) P-C4' energy: -162.526 flat angles C4'-P-C4' energy: -180.251 flat angles P-C4'-P energy: -123.769 tors. eta vs tors. theta energy: -232.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2663.621666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.621666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.621666 (E_RNA) where: Base-Base interactions energy: -1867.627 where: short stacking energy: -796.290 Base-Backbone interact. energy: 7.498 local terms energy: -803.492502 where: bonds (distance) C4'-P energy: -143.192 bonds (distance) P-C4' energy: -146.922 flat angles C4'-P-C4' energy: -173.811 flat angles P-C4'-P energy: -125.638 tors. eta vs tors. theta energy: -213.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2632.698090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.698090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.698090 (E_RNA) where: Base-Base interactions energy: -1828.334 where: short stacking energy: -745.738 Base-Backbone interact. energy: -2.421 local terms energy: -801.943509 where: bonds (distance) C4'-P energy: -158.684 bonds (distance) P-C4' energy: -141.236 flat angles C4'-P-C4' energy: -169.143 flat angles P-C4'-P energy: -110.459 tors. eta vs tors. theta energy: -222.422 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: 7 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2491.760433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.760433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.760433 (E_RNA) where: Base-Base interactions energy: -1758.232 where: short stacking energy: -737.415 Base-Backbone interact. energy: -3.797 local terms energy: -729.731551 where: bonds (distance) C4'-P energy: -126.575 bonds (distance) P-C4' energy: -140.298 flat angles C4'-P-C4' energy: -156.382 flat angles P-C4'-P energy: -111.697 tors. eta vs tors. theta energy: -194.778 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: 8 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -2380.734112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.734112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.734112 (E_RNA) where: Base-Base interactions energy: -1664.484 where: short stacking energy: -701.090 Base-Backbone interact. energy: -1.514 local terms energy: -714.735907 where: bonds (distance) C4'-P energy: -120.477 bonds (distance) P-C4' energy: -152.523 flat angles C4'-P-C4' energy: -155.558 flat angles P-C4'-P energy: -93.612 tors. eta vs tors. theta energy: -192.566 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: 7, replica: 6 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -2129.696981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.696981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.696981 (E_RNA) where: Base-Base interactions energy: -1454.178 where: short stacking energy: -641.643 Base-Backbone interact. energy: 1.329 local terms energy: -676.848086 where: bonds (distance) C4'-P energy: -157.615 bonds (distance) P-C4' energy: -127.139 flat angles C4'-P-C4' energy: -158.529 flat angles P-C4'-P energy: -78.611 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: 8, replica: 2 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1833.959934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.959934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.959934 (E_RNA) where: Base-Base interactions energy: -1193.140 where: short stacking energy: -548.004 Base-Backbone interact. energy: -2.827 local terms energy: -637.993346 where: bonds (distance) C4'-P energy: -136.511 bonds (distance) P-C4' energy: -156.302 flat angles C4'-P-C4' energy: -138.658 flat angles P-C4'-P energy: -86.707 tors. eta vs tors. theta energy: -119.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1389.333714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.333714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.333714 (E_RNA) where: Base-Base interactions energy: -826.622 where: short stacking energy: -380.555 Base-Backbone interact. energy: -0.513 local terms energy: -562.198972 where: bonds (distance) C4'-P energy: -141.578 bonds (distance) P-C4' energy: -161.869 flat angles C4'-P-C4' energy: -130.650 flat angles P-C4'-P energy: -61.082 tors. eta vs tors. theta energy: -67.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -934.913156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.913156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.913156 (E_RNA) where: Base-Base interactions energy: -467.003 where: short stacking energy: -252.647 Base-Backbone interact. energy: 7.760 local terms energy: -475.670453 where: bonds (distance) C4'-P energy: -111.685 bonds (distance) P-C4' energy: -144.638 flat angles C4'-P-C4' energy: -111.138 flat angles P-C4'-P energy: -87.759 tors. eta vs tors. theta energy: -20.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -3061.656653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.656653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.656653 (E_RNA) where: Base-Base interactions energy: -2162.161 where: short stacking energy: -863.458 Base-Backbone interact. energy: -2.860 local terms energy: -896.635925 where: bonds (distance) C4'-P energy: -169.556 bonds (distance) P-C4' energy: -176.452 flat angles C4'-P-C4' energy: -181.772 flat angles P-C4'-P energy: -130.635 tors. eta vs tors. theta energy: -238.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2863.248031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.248031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.248031 (E_RNA) where: Base-Base interactions energy: -1974.778 where: short stacking energy: -813.261 Base-Backbone interact. energy: -0.870 local terms energy: -887.600207 where: bonds (distance) C4'-P energy: -172.125 bonds (distance) P-C4' energy: -188.684 flat angles C4'-P-C4' energy: -172.488 flat angles P-C4'-P energy: -120.872 tors. eta vs tors. theta energy: -233.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2685.204252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.204252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.204252 (E_RNA) where: Base-Base interactions energy: -1866.928 where: short stacking energy: -791.851 Base-Backbone interact. energy: 5.273 local terms energy: -823.548782 where: bonds (distance) C4'-P energy: -152.725 bonds (distance) P-C4' energy: -179.874 flat angles C4'-P-C4' energy: -174.833 flat angles P-C4'-P energy: -111.089 tors. eta vs tors. theta energy: -205.027 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: 4 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2595.473970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.473970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.473970 (E_RNA) where: Base-Base interactions energy: -1790.687 where: short stacking energy: -766.826 Base-Backbone interact. energy: -4.405 local terms energy: -800.381954 where: bonds (distance) C4'-P energy: -124.115 bonds (distance) P-C4' energy: -173.437 flat angles C4'-P-C4' energy: -172.926 flat angles P-C4'-P energy: -115.630 tors. eta vs tors. theta energy: -214.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2494.873389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.873389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.873389 (E_RNA) where: Base-Base interactions energy: -1697.013 where: short stacking energy: -699.812 Base-Backbone interact. energy: -3.438 local terms energy: -794.422665 where: bonds (distance) C4'-P energy: -142.339 bonds (distance) P-C4' energy: -163.252 flat angles C4'-P-C4' energy: -173.853 flat angles P-C4'-P energy: -120.183 tors. eta vs tors. theta energy: -194.796 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: 8 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -2404.006365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.006365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.006365 (E_RNA) where: Base-Base interactions energy: -1666.737 where: short stacking energy: -671.129 Base-Backbone interact. energy: -2.685 local terms energy: -734.583849 where: bonds (distance) C4'-P energy: -143.707 bonds (distance) P-C4' energy: -154.171 flat angles C4'-P-C4' energy: -149.033 flat angles P-C4'-P energy: -108.744 tors. eta vs tors. theta energy: -178.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -2142.967565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.967565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.967565 (E_RNA) where: Base-Base interactions energy: -1476.777 where: short stacking energy: -623.977 Base-Backbone interact. energy: 4.004 local terms energy: -670.194487 where: bonds (distance) C4'-P energy: -122.271 bonds (distance) P-C4' energy: -143.494 flat angles C4'-P-C4' energy: -142.776 flat angles P-C4'-P energy: -98.196 tors. eta vs tors. theta energy: -163.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1762.042562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.042562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.042562 (E_RNA) where: Base-Base interactions energy: -1121.924 where: short stacking energy: -522.683 Base-Backbone interact. energy: 3.308 local terms energy: -643.426440 where: bonds (distance) C4'-P energy: -146.871 bonds (distance) P-C4' energy: -124.351 flat angles C4'-P-C4' energy: -146.698 flat angles P-C4'-P energy: -99.462 tors. eta vs tors. theta energy: -126.045 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: 9, replica: 9 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1357.577875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.577875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.577875 (E_RNA) where: Base-Base interactions energy: -831.723 where: short stacking energy: -389.370 Base-Backbone interact. energy: 10.094 local terms energy: -535.948552 where: bonds (distance) C4'-P energy: -123.810 bonds (distance) P-C4' energy: -144.174 flat angles C4'-P-C4' energy: -115.496 flat angles P-C4'-P energy: -104.270 tors. eta vs tors. theta energy: -48.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -929.639349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.639349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.639349 (E_RNA) where: Base-Base interactions energy: -473.368 where: short stacking energy: -249.959 Base-Backbone interact. energy: 3.690 local terms energy: -459.962019 where: bonds (distance) C4'-P energy: -139.184 bonds (distance) P-C4' energy: -152.219 flat angles C4'-P-C4' energy: -112.634 flat angles P-C4'-P energy: -59.513 tors. eta vs tors. theta energy: 3.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -3052.237595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.237595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.237595 (E_RNA) where: Base-Base interactions energy: -2146.716 where: short stacking energy: -846.024 Base-Backbone interact. energy: -5.290 local terms energy: -900.232309 where: bonds (distance) C4'-P energy: -151.363 bonds (distance) P-C4' energy: -171.690 flat angles C4'-P-C4' energy: -186.955 flat angles P-C4'-P energy: -147.267 tors. eta vs tors. theta energy: -242.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2848.333271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.333271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.333271 (E_RNA) where: Base-Base interactions energy: -1985.485 where: short stacking energy: -799.981 Base-Backbone interact. energy: -2.265 local terms energy: -860.583295 where: bonds (distance) C4'-P energy: -159.278 bonds (distance) P-C4' energy: -151.493 flat angles C4'-P-C4' energy: -190.776 flat angles P-C4'-P energy: -137.429 tors. eta vs tors. theta energy: -221.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2656.985007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.985007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.985007 (E_RNA) where: Base-Base interactions energy: -1823.425 where: short stacking energy: -770.802 Base-Backbone interact. energy: -3.973 local terms energy: -829.586711 where: bonds (distance) C4'-P energy: -157.454 bonds (distance) P-C4' energy: -174.452 flat angles C4'-P-C4' energy: -171.740 flat angles P-C4'-P energy: -118.523 tors. eta vs tors. theta energy: -207.418 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: 4 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2618.392071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.392071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.392071 (E_RNA) where: Base-Base interactions energy: -1807.139 where: short stacking energy: -760.665 Base-Backbone interact. energy: -0.785 local terms energy: -810.468551 where: bonds (distance) C4'-P energy: -145.749 bonds (distance) P-C4' energy: -137.083 flat angles C4'-P-C4' energy: -168.029 flat angles P-C4'-P energy: -145.161 tors. eta vs tors. theta energy: -214.446 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: 7 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2500.978448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.978448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.978448 (E_RNA) where: Base-Base interactions energy: -1756.684 where: short stacking energy: -742.955 Base-Backbone interact. energy: 2.341 local terms energy: -746.636084 where: bonds (distance) C4'-P energy: -139.648 bonds (distance) P-C4' energy: -150.187 flat angles C4'-P-C4' energy: -154.112 flat angles P-C4'-P energy: -101.525 tors. eta vs tors. theta energy: -201.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -2405.909868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.909868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.909868 (E_RNA) where: Base-Base interactions energy: -1652.348 where: short stacking energy: -680.193 Base-Backbone interact. energy: -0.931 local terms energy: -752.630888 where: bonds (distance) C4'-P energy: -136.303 bonds (distance) P-C4' energy: -172.306 flat angles C4'-P-C4' energy: -153.053 flat angles P-C4'-P energy: -103.771 tors. eta vs tors. theta energy: -187.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -2170.497070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.497070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.497070 (E_RNA) where: Base-Base interactions energy: -1483.867 where: short stacking energy: -642.458 Base-Backbone interact. energy: -1.090 local terms energy: -685.540658 where: bonds (distance) C4'-P energy: -147.962 bonds (distance) P-C4' energy: -138.846 flat angles C4'-P-C4' energy: -144.882 flat angles P-C4'-P energy: -92.382 tors. eta vs tors. theta energy: -161.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1758.595635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.595635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.595635 (E_RNA) where: Base-Base interactions energy: -1179.770 where: short stacking energy: -533.250 Base-Backbone interact. energy: -2.345 local terms energy: -576.480402 where: bonds (distance) C4'-P energy: -132.883 bonds (distance) P-C4' energy: -131.947 flat angles C4'-P-C4' energy: -112.363 flat angles P-C4'-P energy: -87.135 tors. eta vs tors. theta energy: -112.153 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: 9, replica: 9 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1447.297960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.297960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.297960 (E_RNA) where: Base-Base interactions energy: -917.354 where: short stacking energy: -436.612 Base-Backbone interact. energy: -2.805 local terms energy: -527.139352 where: bonds (distance) C4'-P energy: -110.332 bonds (distance) P-C4' energy: -137.543 flat angles C4'-P-C4' energy: -129.812 flat angles P-C4'-P energy: -87.743 tors. eta vs tors. theta energy: -61.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -922.141250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.141250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.141250 (E_RNA) where: Base-Base interactions energy: -457.505 where: short stacking energy: -238.852 Base-Backbone interact. energy: 1.457 local terms energy: -466.092939 where: bonds (distance) C4'-P energy: -108.189 bonds (distance) P-C4' energy: -134.658 flat angles C4'-P-C4' energy: -147.168 flat angles P-C4'-P energy: -77.206 tors. eta vs tors. theta energy: 1.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -3071.465700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.465700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.465700 (E_RNA) where: Base-Base interactions energy: -2195.725 where: short stacking energy: -885.689 Base-Backbone interact. energy: -6.547 local terms energy: -869.194144 where: bonds (distance) C4'-P energy: -143.840 bonds (distance) P-C4' energy: -165.447 flat angles C4'-P-C4' energy: -181.119 flat angles P-C4'-P energy: -125.247 tors. eta vs tors. theta energy: -253.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2829.820497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.820497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.820497 (E_RNA) where: Base-Base interactions energy: -1969.806 where: short stacking energy: -832.130 Base-Backbone interact. energy: -5.990 local terms energy: -854.025013 where: bonds (distance) C4'-P energy: -149.794 bonds (distance) P-C4' energy: -169.794 flat angles C4'-P-C4' energy: -180.954 flat angles P-C4'-P energy: -113.232 tors. eta vs tors. theta energy: -240.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2640.892682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.892682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.892682 (E_RNA) where: Base-Base interactions energy: -1830.190 where: short stacking energy: -787.948 Base-Backbone interact. energy: -3.073 local terms energy: -807.629551 where: bonds (distance) C4'-P energy: -151.830 bonds (distance) P-C4' energy: -169.196 flat angles C4'-P-C4' energy: -179.960 flat angles P-C4'-P energy: -102.567 tors. eta vs tors. theta energy: -204.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2624.133929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.133929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.133929 (E_RNA) where: Base-Base interactions energy: -1802.767 where: short stacking energy: -760.672 Base-Backbone interact. energy: -2.044 local terms energy: -819.323337 where: bonds (distance) C4'-P energy: -160.635 bonds (distance) P-C4' energy: -158.858 flat angles C4'-P-C4' energy: -169.710 flat angles P-C4'-P energy: -120.771 tors. eta vs tors. theta energy: -209.349 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: 7 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -2483.245587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.245587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.245587 (E_RNA) where: Base-Base interactions energy: -1697.869 where: short stacking energy: -715.645 Base-Backbone interact. energy: -0.676 local terms energy: -784.700930 where: bonds (distance) C4'-P energy: -146.373 bonds (distance) P-C4' energy: -156.568 flat angles C4'-P-C4' energy: -174.315 flat angles P-C4'-P energy: -107.906 tors. eta vs tors. theta energy: -199.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -2422.381920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.381920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.381920 (E_RNA) where: Base-Base interactions energy: -1678.103 where: short stacking energy: -685.730 Base-Backbone interact. energy: -3.047 local terms energy: -741.232534 where: bonds (distance) C4'-P energy: -147.593 bonds (distance) P-C4' energy: -159.132 flat angles C4'-P-C4' energy: -159.156 flat angles P-C4'-P energy: -95.487 tors. eta vs tors. theta energy: -179.865 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: 6 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -2115.716182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.716182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.716182 (E_RNA) where: Base-Base interactions energy: -1436.652 where: short stacking energy: -620.838 Base-Backbone interact. energy: 1.311 local terms energy: -680.375251 where: bonds (distance) C4'-P energy: -117.547 bonds (distance) P-C4' energy: -139.249 flat angles C4'-P-C4' energy: -156.929 flat angles P-C4'-P energy: -103.158 tors. eta vs tors. theta energy: -163.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1749.444448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.444448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.444448 (E_RNA) where: Base-Base interactions energy: -1136.964 where: short stacking energy: -515.401 Base-Backbone interact. energy: -1.805 local terms energy: -610.675600 where: bonds (distance) C4'-P energy: -133.222 bonds (distance) P-C4' energy: -136.244 flat angles C4'-P-C4' energy: -142.193 flat angles P-C4'-P energy: -78.880 tors. eta vs tors. theta energy: -120.136 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: 154 Temperature: 1.300000 Total energy: -1422.554453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.554453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.554453 (E_RNA) where: Base-Base interactions energy: -854.197 where: short stacking energy: -361.155 Base-Backbone interact. energy: -0.043 local terms energy: -568.314903 where: bonds (distance) C4'-P energy: -154.126 bonds (distance) P-C4' energy: -169.960 flat angles C4'-P-C4' energy: -130.085 flat angles P-C4'-P energy: -77.494 tors. eta vs tors. theta energy: -36.650 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: 10 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -935.981053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.981053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.981053 (E_RNA) where: Base-Base interactions energy: -495.999 where: short stacking energy: -282.190 Base-Backbone interact. energy: 0.596 local terms energy: -440.577928 where: bonds (distance) C4'-P energy: -128.052 bonds (distance) P-C4' energy: -132.396 flat angles C4'-P-C4' energy: -111.004 flat angles P-C4'-P energy: -63.864 tors. eta vs tors. theta energy: -5.262 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: 1, replica: 3 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -3060.274161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.274161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.274161 (E_RNA) where: Base-Base interactions energy: -2183.570 where: short stacking energy: -867.521 Base-Backbone interact. energy: -4.729 local terms energy: -871.975146 where: bonds (distance) C4'-P energy: -152.811 bonds (distance) P-C4' energy: -173.058 flat angles C4'-P-C4' energy: -183.280 flat angles P-C4'-P energy: -119.578 tors. eta vs tors. theta energy: -243.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2827.465064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.465064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.465064 (E_RNA) where: Base-Base interactions energy: -1976.489 where: short stacking energy: -834.379 Base-Backbone interact. energy: -2.941 local terms energy: -848.034916 where: bonds (distance) C4'-P energy: -162.669 bonds (distance) P-C4' energy: -157.953 flat angles C4'-P-C4' energy: -174.350 flat angles P-C4'-P energy: -124.058 tors. eta vs tors. theta energy: -229.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2644.362788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.362788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.362788 (E_RNA) where: Base-Base interactions energy: -1809.189 where: short stacking energy: -768.070 Base-Backbone interact. energy: -1.143 local terms energy: -834.030619 where: bonds (distance) C4'-P energy: -153.299 bonds (distance) P-C4' energy: -185.160 flat angles C4'-P-C4' energy: -182.704 flat angles P-C4'-P energy: -100.204 tors. eta vs tors. theta energy: -212.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2598.027523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.027523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.027523 (E_RNA) where: Base-Base interactions energy: -1801.904 where: short stacking energy: -753.096 Base-Backbone interact. energy: -3.470 local terms energy: -792.653957 where: bonds (distance) C4'-P energy: -140.908 bonds (distance) P-C4' energy: -146.756 flat angles C4'-P-C4' energy: -164.070 flat angles P-C4'-P energy: -125.976 tors. eta vs tors. theta energy: -214.944 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: 7 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2525.731867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.731867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.731867 (E_RNA) where: Base-Base interactions energy: -1753.602 where: short stacking energy: -737.957 Base-Backbone interact. energy: -3.981 local terms energy: -768.148497 where: bonds (distance) C4'-P energy: -145.193 bonds (distance) P-C4' energy: -132.261 flat angles C4'-P-C4' energy: -164.092 flat angles P-C4'-P energy: -106.085 tors. eta vs tors. theta energy: -220.517 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: 8 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -2408.595802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.595802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.595802 (E_RNA) where: Base-Base interactions energy: -1701.357 where: short stacking energy: -698.147 Base-Backbone interact. energy: -1.504 local terms energy: -705.735006 where: bonds (distance) C4'-P energy: -149.215 bonds (distance) P-C4' energy: -121.085 flat angles C4'-P-C4' energy: -170.702 flat angles P-C4'-P energy: -95.660 tors. eta vs tors. theta energy: -169.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -2223.065090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.065090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.065090 (E_RNA) where: Base-Base interactions energy: -1538.268 where: short stacking energy: -656.253 Base-Backbone interact. energy: 0.907 local terms energy: -685.704097 where: bonds (distance) C4'-P energy: -131.014 bonds (distance) P-C4' energy: -142.091 flat angles C4'-P-C4' energy: -148.186 flat angles P-C4'-P energy: -100.824 tors. eta vs tors. theta energy: -163.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1768.629751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.629751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.629751 (E_RNA) where: Base-Base interactions energy: -1152.221 where: short stacking energy: -496.874 Base-Backbone interact. energy: -2.940 local terms energy: -613.468520 where: bonds (distance) C4'-P energy: -149.080 bonds (distance) P-C4' energy: -116.412 flat angles C4'-P-C4' energy: -155.930 flat angles P-C4'-P energy: -83.519 tors. eta vs tors. theta energy: -108.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1333.945094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.945094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.945094 (E_RNA) where: Base-Base interactions energy: -800.755 where: short stacking energy: -370.273 Base-Backbone interact. energy: -1.858 local terms energy: -531.331321 where: bonds (distance) C4'-P energy: -136.280 bonds (distance) P-C4' energy: -138.739 flat angles C4'-P-C4' energy: -114.972 flat angles P-C4'-P energy: -96.582 tors. eta vs tors. theta energy: -44.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -926.587473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.587473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.587473 (E_RNA) where: Base-Base interactions energy: -477.224 where: short stacking energy: -254.846 Base-Backbone interact. energy: -1.599 local terms energy: -447.763947 where: bonds (distance) C4'-P energy: -127.137 bonds (distance) P-C4' energy: -132.078 flat angles C4'-P-C4' energy: -115.979 flat angles P-C4'-P energy: -72.593 tors. eta vs tors. theta energy: 0.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -3080.087874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.087874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.087874 (E_RNA) where: Base-Base interactions energy: -2180.877 where: short stacking energy: -875.778 Base-Backbone interact. energy: -4.964 local terms energy: -894.246404 where: bonds (distance) C4'-P energy: -169.261 bonds (distance) P-C4' energy: -170.039 flat angles C4'-P-C4' energy: -190.169 flat angles P-C4'-P energy: -125.731 tors. eta vs tors. theta energy: -239.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2846.085928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.085928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.085928 (E_RNA) where: Base-Base interactions energy: -1978.470 where: short stacking energy: -837.138 Base-Backbone interact. energy: -4.878 local terms energy: -862.737512 where: bonds (distance) C4'-P energy: -142.426 bonds (distance) P-C4' energy: -156.996 flat angles C4'-P-C4' energy: -183.587 flat angles P-C4'-P energy: -135.889 tors. eta vs tors. theta energy: -243.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2677.981432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.981432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.981432 (E_RNA) where: Base-Base interactions energy: -1882.293 where: short stacking energy: -787.140 Base-Backbone interact. energy: -2.051 local terms energy: -793.637254 where: bonds (distance) C4'-P energy: -133.925 bonds (distance) P-C4' energy: -152.083 flat angles C4'-P-C4' energy: -169.138 flat angles P-C4'-P energy: -115.324 tors. eta vs tors. theta energy: -223.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2610.031622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.031622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.031622 (E_RNA) where: Base-Base interactions energy: -1801.730 where: short stacking energy: -753.436 Base-Backbone interact. energy: -0.794 local terms energy: -807.507774 where: bonds (distance) C4'-P energy: -142.474 bonds (distance) P-C4' energy: -160.252 flat angles C4'-P-C4' energy: -168.468 flat angles P-C4'-P energy: -123.260 tors. eta vs tors. theta energy: -213.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2536.949629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.949629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.949629 (E_RNA) where: Base-Base interactions energy: -1792.073 where: short stacking energy: -748.120 Base-Backbone interact. energy: -4.269 local terms energy: -740.607974 where: bonds (distance) C4'-P energy: -128.492 bonds (distance) P-C4' energy: -144.881 flat angles C4'-P-C4' energy: -151.061 flat angles P-C4'-P energy: -111.681 tors. eta vs tors. theta energy: -204.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -2363.949174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.949174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.949174 (E_RNA) where: Base-Base interactions energy: -1639.291 where: short stacking energy: -699.865 Base-Backbone interact. energy: -5.542 local terms energy: -719.116163 where: bonds (distance) C4'-P energy: -114.829 bonds (distance) P-C4' energy: -156.416 flat angles C4'-P-C4' energy: -161.864 flat angles P-C4'-P energy: -99.549 tors. eta vs tors. theta energy: -186.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -2187.937418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.937418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.937418 (E_RNA) where: Base-Base interactions energy: -1484.534 where: short stacking energy: -629.976 Base-Backbone interact. energy: 6.511 local terms energy: -709.914966 where: bonds (distance) C4'-P energy: -132.202 bonds (distance) P-C4' energy: -149.376 flat angles C4'-P-C4' energy: -152.553 flat angles P-C4'-P energy: -112.921 tors. eta vs tors. theta energy: -162.862 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: 2 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1729.779651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.779651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.779651 (E_RNA) where: Base-Base interactions energy: -1139.523 where: short stacking energy: -471.916 Base-Backbone interact. energy: -4.214 local terms energy: -586.042952 where: bonds (distance) C4'-P energy: -126.421 bonds (distance) P-C4' energy: -131.334 flat angles C4'-P-C4' energy: -126.582 flat angles P-C4'-P energy: -93.747 tors. eta vs tors. theta energy: -107.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -1374.095378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.095378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.095378 (E_RNA) where: Base-Base interactions energy: -855.047 where: short stacking energy: -383.899 Base-Backbone interact. energy: 3.469 local terms energy: -522.518030 where: bonds (distance) C4'-P energy: -134.492 bonds (distance) P-C4' energy: -131.770 flat angles C4'-P-C4' energy: -151.073 flat angles P-C4'-P energy: -68.894 tors. eta vs tors. theta energy: -36.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -970.479901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.479901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.479901 (E_RNA) where: Base-Base interactions energy: -504.954 where: short stacking energy: -284.533 Base-Backbone interact. energy: -1.180 local terms energy: -464.345673 where: bonds (distance) C4'-P energy: -126.509 bonds (distance) P-C4' energy: -142.154 flat angles C4'-P-C4' energy: -94.643 flat angles P-C4'-P energy: -79.425 tors. eta vs tors. theta energy: -21.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -3056.079140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.079140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.079140 (E_RNA) where: Base-Base interactions energy: -2152.319 where: short stacking energy: -863.022 Base-Backbone interact. energy: -7.787 local terms energy: -895.973010 where: bonds (distance) C4'-P energy: -165.237 bonds (distance) P-C4' energy: -172.056 flat angles C4'-P-C4' energy: -184.011 flat angles P-C4'-P energy: -132.747 tors. eta vs tors. theta energy: -241.923 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: 1 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2816.258000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.258000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.258000 (E_RNA) where: Base-Base interactions energy: -1943.813 where: short stacking energy: -832.006 Base-Backbone interact. energy: -1.173 local terms energy: -871.271229 where: bonds (distance) C4'-P energy: -169.118 bonds (distance) P-C4' energy: -158.507 flat angles C4'-P-C4' energy: -181.709 flat angles P-C4'-P energy: -125.337 tors. eta vs tors. theta energy: -236.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2686.007190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.007190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.007190 (E_RNA) where: Base-Base interactions energy: -1877.808 where: short stacking energy: -782.562 Base-Backbone interact. energy: -1.281 local terms energy: -806.918271 where: bonds (distance) C4'-P energy: -149.629 bonds (distance) P-C4' energy: -140.668 flat angles C4'-P-C4' energy: -177.362 flat angles P-C4'-P energy: -118.247 tors. eta vs tors. theta energy: -221.012 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: 4 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2589.206024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.206024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.206024 (E_RNA) where: Base-Base interactions energy: -1790.113 where: short stacking energy: -760.333 Base-Backbone interact. energy: -1.092 local terms energy: -798.000865 where: bonds (distance) C4'-P energy: -140.029 bonds (distance) P-C4' energy: -158.960 flat angles C4'-P-C4' energy: -167.908 flat angles P-C4'-P energy: -120.664 tors. eta vs tors. theta energy: -210.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2461.401720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.401720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.401720 (E_RNA) where: Base-Base interactions energy: -1682.808 where: short stacking energy: -700.730 Base-Backbone interact. energy: -4.537 local terms energy: -774.056999 where: bonds (distance) C4'-P energy: -146.926 bonds (distance) P-C4' energy: -158.798 flat angles C4'-P-C4' energy: -166.232 flat angles P-C4'-P energy: -105.207 tors. eta vs tors. theta energy: -196.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -2423.037185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.037185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.037185 (E_RNA) where: Base-Base interactions energy: -1663.952 where: short stacking energy: -674.624 Base-Backbone interact. energy: -3.965 local terms energy: -755.120166 where: bonds (distance) C4'-P energy: -148.961 bonds (distance) P-C4' energy: -149.042 flat angles C4'-P-C4' energy: -169.728 flat angles P-C4'-P energy: -101.580 tors. eta vs tors. theta energy: -185.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -2130.164567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.164567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.164567 (E_RNA) where: Base-Base interactions energy: -1441.233 where: short stacking energy: -592.202 Base-Backbone interact. energy: -6.515 local terms energy: -682.415959 where: bonds (distance) C4'-P energy: -132.887 bonds (distance) P-C4' energy: -144.734 flat angles C4'-P-C4' energy: -145.802 flat angles P-C4'-P energy: -106.199 tors. eta vs tors. theta energy: -152.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1749.791794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.791794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.791794 (E_RNA) where: Base-Base interactions energy: -1146.381 where: short stacking energy: -502.413 Base-Backbone interact. energy: -1.393 local terms energy: -602.017683 where: bonds (distance) C4'-P energy: -130.713 bonds (distance) P-C4' energy: -133.357 flat angles C4'-P-C4' energy: -133.440 flat angles P-C4'-P energy: -104.788 tors. eta vs tors. theta energy: -99.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -1396.464076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.464076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.464076 (E_RNA) where: Base-Base interactions energy: -902.878 where: short stacking energy: -414.683 Base-Backbone interact. energy: 2.790 local terms energy: -496.375518 where: bonds (distance) C4'-P energy: -115.290 bonds (distance) P-C4' energy: -134.257 flat angles C4'-P-C4' energy: -126.314 flat angles P-C4'-P energy: -77.548 tors. eta vs tors. theta energy: -42.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -987.823513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.823513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.823513 (E_RNA) where: Base-Base interactions energy: -564.042 where: short stacking energy: -318.274 Base-Backbone interact. energy: 4.675 local terms energy: -428.456496 where: bonds (distance) C4'-P energy: -124.624 bonds (distance) P-C4' energy: -127.675 flat angles C4'-P-C4' energy: -98.419 flat angles P-C4'-P energy: -68.968 tors. eta vs tors. theta energy: -8.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -3079.104331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.104331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.104331 (E_RNA) where: Base-Base interactions energy: -2173.324 where: short stacking energy: -868.352 Base-Backbone interact. energy: -1.355 local terms energy: -904.425027 where: bonds (distance) C4'-P energy: -165.910 bonds (distance) P-C4' energy: -159.507 flat angles C4'-P-C4' energy: -192.450 flat angles P-C4'-P energy: -143.169 tors. eta vs tors. theta energy: -243.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2807.889782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.889782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.889782 (E_RNA) where: Base-Base interactions energy: -1927.376 where: short stacking energy: -830.280 Base-Backbone interact. energy: -1.601 local terms energy: -878.912936 where: bonds (distance) C4'-P energy: -154.205 bonds (distance) P-C4' energy: -179.069 flat angles C4'-P-C4' energy: -171.375 flat angles P-C4'-P energy: -131.837 tors. eta vs tors. theta energy: -242.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2652.810221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.810221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.810221 (E_RNA) where: Base-Base interactions energy: -1855.440 where: short stacking energy: -773.856 Base-Backbone interact. energy: -2.057 local terms energy: -795.313491 where: bonds (distance) C4'-P energy: -154.866 bonds (distance) P-C4' energy: -162.155 flat angles C4'-P-C4' energy: -169.270 flat angles P-C4'-P energy: -112.707 tors. eta vs tors. theta energy: -196.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2563.016513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.016513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.016513 (E_RNA) where: Base-Base interactions energy: -1788.909 where: short stacking energy: -727.539 Base-Backbone interact. energy: -4.950 local terms energy: -769.157821 where: bonds (distance) C4'-P energy: -121.537 bonds (distance) P-C4' energy: -175.270 flat angles C4'-P-C4' energy: -163.106 flat angles P-C4'-P energy: -96.942 tors. eta vs tors. theta energy: -212.304 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: 5, replica: 7 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2501.501897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.501897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.501897 (E_RNA) where: Base-Base interactions energy: -1741.344 where: short stacking energy: -716.820 Base-Backbone interact. energy: -4.340 local terms energy: -755.818520 where: bonds (distance) C4'-P energy: -126.748 bonds (distance) P-C4' energy: -160.702 flat angles C4'-P-C4' energy: -168.061 flat angles P-C4'-P energy: -108.450 tors. eta vs tors. theta energy: -191.858 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: 8 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -2398.361709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.361709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.361709 (E_RNA) where: Base-Base interactions energy: -1700.112 where: short stacking energy: -731.772 Base-Backbone interact. energy: 0.730 local terms energy: -698.979813 where: bonds (distance) C4'-P energy: -121.141 bonds (distance) P-C4' energy: -118.539 flat angles C4'-P-C4' energy: -167.329 flat angles P-C4'-P energy: -96.422 tors. eta vs tors. theta energy: -195.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -2076.759249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.759249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.759249 (E_RNA) where: Base-Base interactions energy: -1415.138 where: short stacking energy: -624.159 Base-Backbone interact. energy: -0.402 local terms energy: -661.219991 where: bonds (distance) C4'-P energy: -139.998 bonds (distance) P-C4' energy: -154.476 flat angles C4'-P-C4' energy: -142.699 flat angles P-C4'-P energy: -69.694 tors. eta vs tors. theta energy: -154.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1770.191929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.191929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.191929 (E_RNA) where: Base-Base interactions energy: -1163.213 where: short stacking energy: -534.266 Base-Backbone interact. energy: 2.166 local terms energy: -609.145086 where: bonds (distance) C4'-P energy: -153.209 bonds (distance) P-C4' energy: -151.615 flat angles C4'-P-C4' energy: -129.663 flat angles P-C4'-P energy: -77.895 tors. eta vs tors. theta energy: -96.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -1361.157981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.157981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.157981 (E_RNA) where: Base-Base interactions energy: -839.651 where: short stacking energy: -378.346 Base-Backbone interact. energy: 3.071 local terms energy: -524.578414 where: bonds (distance) C4'-P energy: -134.458 bonds (distance) P-C4' energy: -135.448 flat angles C4'-P-C4' energy: -131.880 flat angles P-C4'-P energy: -77.560 tors. eta vs tors. theta energy: -45.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -969.706217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.706217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.706217 (E_RNA) where: Base-Base interactions energy: -521.539 where: short stacking energy: -269.073 Base-Backbone interact. energy: 1.349 local terms energy: -449.517068 where: bonds (distance) C4'-P energy: -110.698 bonds (distance) P-C4' energy: -164.895 flat angles C4'-P-C4' energy: -123.854 flat angles P-C4'-P energy: -54.702 tors. eta vs tors. theta energy: 4.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -3071.033555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.033555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.033555 (E_RNA) where: Base-Base interactions energy: -2166.900 where: short stacking energy: -871.708 Base-Backbone interact. energy: -9.479 local terms energy: -894.654777 where: bonds (distance) C4'-P energy: -158.571 bonds (distance) P-C4' energy: -172.208 flat angles C4'-P-C4' energy: -189.589 flat angles P-C4'-P energy: -138.982 tors. eta vs tors. theta energy: -235.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2806.210509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.210509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.210509 (E_RNA) where: Base-Base interactions energy: -1953.674 where: short stacking energy: -835.055 Base-Backbone interact. energy: -3.941 local terms energy: -848.595927 where: bonds (distance) C4'-P energy: -147.403 bonds (distance) P-C4' energy: -172.474 flat angles C4'-P-C4' energy: -176.233 flat angles P-C4'-P energy: -115.645 tors. eta vs tors. theta energy: -236.841 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: 5 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2659.747203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.747203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.747203 (E_RNA) where: Base-Base interactions energy: -1850.982 where: short stacking energy: -784.808 Base-Backbone interact. energy: 3.705 local terms energy: -812.470075 where: bonds (distance) C4'-P energy: -148.476 bonds (distance) P-C4' energy: -168.719 flat angles C4'-P-C4' energy: -182.125 flat angles P-C4'-P energy: -103.593 tors. eta vs tors. theta energy: -209.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2599.654382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.654382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.654382 (E_RNA) where: Base-Base interactions energy: -1795.757 where: short stacking energy: -728.334 Base-Backbone interact. energy: -0.094 local terms energy: -803.803265 where: bonds (distance) C4'-P energy: -152.299 bonds (distance) P-C4' energy: -177.012 flat angles C4'-P-C4' energy: -171.245 flat angles P-C4'-P energy: -103.112 tors. eta vs tors. theta energy: -200.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2500.785037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.785037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.785037 (E_RNA) where: Base-Base interactions energy: -1733.465 where: short stacking energy: -723.665 Base-Backbone interact. energy: -3.408 local terms energy: -763.912929 where: bonds (distance) C4'-P energy: -126.683 bonds (distance) P-C4' energy: -159.513 flat angles C4'-P-C4' energy: -166.522 flat angles P-C4'-P energy: -111.796 tors. eta vs tors. theta energy: -199.399 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: 8 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -2363.292298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.292298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.292298 (E_RNA) where: Base-Base interactions energy: -1615.334 where: short stacking energy: -665.503 Base-Backbone interact. energy: 7.718 local terms energy: -755.675962 where: bonds (distance) C4'-P energy: -153.697 bonds (distance) P-C4' energy: -153.998 flat angles C4'-P-C4' energy: -162.158 flat angles P-C4'-P energy: -109.980 tors. eta vs tors. theta energy: -175.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -2080.664481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.664481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.664481 (E_RNA) where: Base-Base interactions energy: -1409.468 where: short stacking energy: -584.923 Base-Backbone interact. energy: -4.449 local terms energy: -666.747204 where: bonds (distance) C4'-P energy: -129.519 bonds (distance) P-C4' energy: -154.587 flat angles C4'-P-C4' energy: -139.508 flat angles P-C4'-P energy: -103.219 tors. eta vs tors. theta energy: -139.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1798.338167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.338167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.338167 (E_RNA) where: Base-Base interactions energy: -1222.469 where: short stacking energy: -520.878 Base-Backbone interact. energy: 3.752 local terms energy: -579.621138 where: bonds (distance) C4'-P energy: -104.438 bonds (distance) P-C4' energy: -136.256 flat angles C4'-P-C4' energy: -135.136 flat angles P-C4'-P energy: -97.175 tors. eta vs tors. theta energy: -106.616 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: 9, replica: 9 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -1242.574012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.574012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.574012 (E_RNA) where: Base-Base interactions energy: -720.598 where: short stacking energy: -352.384 Base-Backbone interact. energy: -1.136 local terms energy: -520.840314 where: bonds (distance) C4'-P energy: -132.345 bonds (distance) P-C4' energy: -144.952 flat angles C4'-P-C4' energy: -130.533 flat angles P-C4'-P energy: -67.037 tors. eta vs tors. theta energy: -45.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -904.611809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.611809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.611809 (E_RNA) where: Base-Base interactions energy: -467.675 where: short stacking energy: -242.677 Base-Backbone interact. energy: 3.020 local terms energy: -439.957284 where: bonds (distance) C4'-P energy: -128.266 bonds (distance) P-C4' energy: -154.233 flat angles C4'-P-C4' energy: -122.873 flat angles P-C4'-P energy: -61.729 tors. eta vs tors. theta energy: 27.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -3060.923666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.923666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.923666 (E_RNA) where: Base-Base interactions energy: -2182.843 where: short stacking energy: -858.425 Base-Backbone interact. energy: -9.256 local terms energy: -868.824929 where: bonds (distance) C4'-P energy: -150.702 bonds (distance) P-C4' energy: -169.268 flat angles C4'-P-C4' energy: -189.202 flat angles P-C4'-P energy: -133.520 tors. eta vs tors. theta energy: -226.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2854.621415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.621415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.621415 (E_RNA) where: Base-Base interactions energy: -1997.725 where: short stacking energy: -868.947 Base-Backbone interact. energy: 1.344 local terms energy: -858.240061 where: bonds (distance) C4'-P energy: -163.282 bonds (distance) P-C4' energy: -147.790 flat angles C4'-P-C4' energy: -176.111 flat angles P-C4'-P energy: -121.681 tors. eta vs tors. theta energy: -249.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2726.795555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.795555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.795555 (E_RNA) where: Base-Base interactions energy: -1880.322 where: short stacking energy: -798.733 Base-Backbone interact. energy: -7.143 local terms energy: -839.331083 where: bonds (distance) C4'-P energy: -146.168 bonds (distance) P-C4' energy: -179.200 flat angles C4'-P-C4' energy: -177.718 flat angles P-C4'-P energy: -113.552 tors. eta vs tors. theta energy: -222.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2571.040008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.040008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.040008 (E_RNA) where: Base-Base interactions energy: -1784.028 where: short stacking energy: -747.629 Base-Backbone interact. energy: -2.882 local terms energy: -784.129907 where: bonds (distance) C4'-P energy: -139.875 bonds (distance) P-C4' energy: -153.099 flat angles C4'-P-C4' energy: -165.967 flat angles P-C4'-P energy: -113.169 tors. eta vs tors. theta energy: -212.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2461.561983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.561983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.561983 (E_RNA) where: Base-Base interactions energy: -1724.005 where: short stacking energy: -712.554 Base-Backbone interact. energy: 2.021 local terms energy: -739.577147 where: bonds (distance) C4'-P energy: -145.268 bonds (distance) P-C4' energy: -143.135 flat angles C4'-P-C4' energy: -147.187 flat angles P-C4'-P energy: -115.750 tors. eta vs tors. theta energy: -188.237 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: 8 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -2367.648296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.648296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.648296 (E_RNA) where: Base-Base interactions energy: -1666.037 where: short stacking energy: -691.966 Base-Backbone interact. energy: 1.933 local terms energy: -703.543809 where: bonds (distance) C4'-P energy: -137.102 bonds (distance) P-C4' energy: -136.307 flat angles C4'-P-C4' energy: -167.763 flat angles P-C4'-P energy: -89.889 tors. eta vs tors. theta energy: -172.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -2085.973488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.973488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.973488 (E_RNA) where: Base-Base interactions energy: -1405.980 where: short stacking energy: -576.419 Base-Backbone interact. energy: -1.349 local terms energy: -678.644521 where: bonds (distance) C4'-P energy: -144.790 bonds (distance) P-C4' energy: -138.985 flat angles C4'-P-C4' energy: -141.931 flat angles P-C4'-P energy: -104.313 tors. eta vs tors. theta energy: -148.625 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: 8, replica: 2 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1834.415293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.415293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.415293 (E_RNA) where: Base-Base interactions energy: -1219.402 where: short stacking energy: -515.597 Base-Backbone interact. energy: 2.152 local terms energy: -617.165509 where: bonds (distance) C4'-P energy: -133.210 bonds (distance) P-C4' energy: -129.721 flat angles C4'-P-C4' energy: -139.082 flat angles P-C4'-P energy: -88.092 tors. eta vs tors. theta energy: -127.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1287.895102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.895102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.895102 (E_RNA) where: Base-Base interactions energy: -769.752 where: short stacking energy: -362.873 Base-Backbone interact. energy: 2.859 local terms energy: -521.002106 where: bonds (distance) C4'-P energy: -128.437 bonds (distance) P-C4' energy: -144.136 flat angles C4'-P-C4' energy: -125.303 flat angles P-C4'-P energy: -82.684 tors. eta vs tors. theta energy: -40.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -942.401339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.401339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.401339 (E_RNA) where: Base-Base interactions energy: -526.124 where: short stacking energy: -239.525 Base-Backbone interact. energy: -4.221 local terms energy: -412.056166 where: bonds (distance) C4'-P energy: -126.668 bonds (distance) P-C4' energy: -118.585 flat angles C4'-P-C4' energy: -107.828 flat angles P-C4'-P energy: -60.590 tors. eta vs tors. theta energy: 1.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -3067.831276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.831276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.831276 (E_RNA) where: Base-Base interactions energy: -2193.468 where: short stacking energy: -889.423 Base-Backbone interact. energy: -6.945 local terms energy: -867.418149 where: bonds (distance) C4'-P energy: -157.963 bonds (distance) P-C4' energy: -157.895 flat angles C4'-P-C4' energy: -176.993 flat angles P-C4'-P energy: -134.183 tors. eta vs tors. theta energy: -240.383 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: 1 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2848.996483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.996483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.996483 (E_RNA) where: Base-Base interactions energy: -1993.020 where: short stacking energy: -858.674 Base-Backbone interact. energy: -3.428 local terms energy: -852.549090 where: bonds (distance) C4'-P energy: -146.668 bonds (distance) P-C4' energy: -151.541 flat angles C4'-P-C4' energy: -191.243 flat angles P-C4'-P energy: -127.099 tors. eta vs tors. theta energy: -235.999 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: 5 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2683.211584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.211584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.211584 (E_RNA) where: Base-Base interactions energy: -1853.077 where: short stacking energy: -782.279 Base-Backbone interact. energy: -1.832 local terms energy: -828.302992 where: bonds (distance) C4'-P energy: -144.365 bonds (distance) P-C4' energy: -160.857 flat angles C4'-P-C4' energy: -180.851 flat angles P-C4'-P energy: -128.214 tors. eta vs tors. theta energy: -214.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2596.795449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.795449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.795449 (E_RNA) where: Base-Base interactions energy: -1810.950 where: short stacking energy: -748.315 Base-Backbone interact. energy: -3.144 local terms energy: -782.701318 where: bonds (distance) C4'-P energy: -131.829 bonds (distance) P-C4' energy: -165.056 flat angles C4'-P-C4' energy: -175.175 flat angles P-C4'-P energy: -101.969 tors. eta vs tors. theta energy: -208.672 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: 7 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -2453.989844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.989844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.989844 (E_RNA) where: Base-Base interactions energy: -1726.616 where: short stacking energy: -705.973 Base-Backbone interact. energy: 1.639 local terms energy: -729.012567 where: bonds (distance) C4'-P energy: -134.561 bonds (distance) P-C4' energy: -149.544 flat angles C4'-P-C4' energy: -160.585 flat angles P-C4'-P energy: -103.530 tors. eta vs tors. theta energy: -180.793 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: 6, replica: 8 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -2365.089112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.089112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.089112 (E_RNA) where: Base-Base interactions energy: -1637.709 where: short stacking energy: -674.073 Base-Backbone interact. energy: -5.873 local terms energy: -721.507187 where: bonds (distance) C4'-P energy: -134.220 bonds (distance) P-C4' energy: -135.712 flat angles C4'-P-C4' energy: -162.778 flat angles P-C4'-P energy: -110.561 tors. eta vs tors. theta energy: -178.236 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: 7, replica: 6 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -2082.117718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.117718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.117718 (E_RNA) where: Base-Base interactions energy: -1373.027 where: short stacking energy: -612.267 Base-Backbone interact. energy: 1.133 local terms energy: -710.224221 where: bonds (distance) C4'-P energy: -149.601 bonds (distance) P-C4' energy: -145.736 flat angles C4'-P-C4' energy: -145.254 flat angles P-C4'-P energy: -100.230 tors. eta vs tors. theta energy: -169.402 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: 2 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1792.991654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.991654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.991654 (E_RNA) where: Base-Base interactions energy: -1212.635 where: short stacking energy: -540.872 Base-Backbone interact. energy: 1.083 local terms energy: -581.825904 where: bonds (distance) C4'-P energy: -108.336 bonds (distance) P-C4' energy: -154.189 flat angles C4'-P-C4' energy: -126.690 flat angles P-C4'-P energy: -82.852 tors. eta vs tors. theta energy: -109.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.386 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1284.817202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.817202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.817202 (E_RNA) where: Base-Base interactions energy: -765.004 where: short stacking energy: -348.101 Base-Backbone interact. energy: -1.693 local terms energy: -518.120815 where: bonds (distance) C4'-P energy: -134.650 bonds (distance) P-C4' energy: -132.954 flat angles C4'-P-C4' energy: -106.961 flat angles P-C4'-P energy: -94.165 tors. eta vs tors. theta energy: -49.390 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: 10, replica: 10 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -948.131138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.131138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.131138 (E_RNA) where: Base-Base interactions energy: -491.591 where: short stacking energy: -272.356 Base-Backbone interact. energy: 3.916 local terms energy: -460.456092 where: bonds (distance) C4'-P energy: -143.127 bonds (distance) P-C4' energy: -137.451 flat angles C4'-P-C4' energy: -126.774 flat angles P-C4'-P energy: -51.954 tors. eta vs tors. theta energy: -1.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -3092.728261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.728261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.728261 (E_RNA) where: Base-Base interactions energy: -2215.036 where: short stacking energy: -906.841 Base-Backbone interact. energy: -6.201 local terms energy: -871.491442 where: bonds (distance) C4'-P energy: -149.858 bonds (distance) P-C4' energy: -169.771 flat angles C4'-P-C4' energy: -177.679 flat angles P-C4'-P energy: -124.688 tors. eta vs tors. theta energy: -249.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2865.879700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.879700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.879700 (E_RNA) where: Base-Base interactions energy: -1999.719 where: short stacking energy: -846.994 Base-Backbone interact. energy: -4.174 local terms energy: -861.986955 where: bonds (distance) C4'-P energy: -158.299 bonds (distance) P-C4' energy: -171.306 flat angles C4'-P-C4' energy: -174.981 flat angles P-C4'-P energy: -118.947 tors. eta vs tors. theta energy: -238.454 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: 5 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2679.151664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.151664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.151664 (E_RNA) where: Base-Base interactions energy: -1838.999 where: short stacking energy: -786.162 Base-Backbone interact. energy: -2.693 local terms energy: -837.459313 where: bonds (distance) C4'-P energy: -154.374 bonds (distance) P-C4' energy: -169.150 flat angles C4'-P-C4' energy: -181.517 flat angles P-C4'-P energy: -109.524 tors. eta vs tors. theta energy: -222.894 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: 4 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2614.202023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.202023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.202023 (E_RNA) where: Base-Base interactions energy: -1805.414 where: short stacking energy: -761.713 Base-Backbone interact. energy: -5.986 local terms energy: -802.801945 where: bonds (distance) C4'-P energy: -146.270 bonds (distance) P-C4' energy: -149.618 flat angles C4'-P-C4' energy: -166.947 flat angles P-C4'-P energy: -109.257 tors. eta vs tors. theta energy: -230.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2394.561421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.561421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.561421 (E_RNA) where: Base-Base interactions energy: -1650.386 where: short stacking energy: -679.753 Base-Backbone interact. energy: -1.509 local terms energy: -742.666738 where: bonds (distance) C4'-P energy: -141.894 bonds (distance) P-C4' energy: -154.050 flat angles C4'-P-C4' energy: -153.952 flat angles P-C4'-P energy: -104.206 tors. eta vs tors. theta energy: -188.565 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: 8 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -2370.657184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.657184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.657184 (E_RNA) where: Base-Base interactions energy: -1623.176 where: short stacking energy: -694.395 Base-Backbone interact. energy: -3.872 local terms energy: -743.608930 where: bonds (distance) C4'-P energy: -142.175 bonds (distance) P-C4' energy: -163.565 flat angles C4'-P-C4' energy: -153.937 flat angles P-C4'-P energy: -99.841 tors. eta vs tors. theta energy: -184.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -2101.243850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.243850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.243850 (E_RNA) where: Base-Base interactions energy: -1387.273 where: short stacking energy: -607.558 Base-Backbone interact. energy: -1.637 local terms energy: -712.333393 where: bonds (distance) C4'-P energy: -165.966 bonds (distance) P-C4' energy: -145.700 flat angles C4'-P-C4' energy: -172.690 flat angles P-C4'-P energy: -88.063 tors. eta vs tors. theta energy: -139.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1867.192026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.192026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.192026 (E_RNA) where: Base-Base interactions energy: -1241.385 where: short stacking energy: -533.779 Base-Backbone interact. energy: -0.855 local terms energy: -624.952669 where: bonds (distance) C4'-P energy: -123.921 bonds (distance) P-C4' energy: -154.544 flat angles C4'-P-C4' energy: -149.682 flat angles P-C4'-P energy: -71.277 tors. eta vs tors. theta energy: -125.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -1320.641049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.641049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.641049 (E_RNA) where: Base-Base interactions energy: -775.815 where: short stacking energy: -365.711 Base-Backbone interact. energy: -2.812 local terms energy: -542.013444 where: bonds (distance) C4'-P energy: -115.777 bonds (distance) P-C4' energy: -163.603 flat angles C4'-P-C4' energy: -125.567 flat angles P-C4'-P energy: -93.241 tors. eta vs tors. theta energy: -43.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -891.881042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.881042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.881042 (E_RNA) where: Base-Base interactions energy: -429.670 where: short stacking energy: -235.718 Base-Backbone interact. energy: 0.120 local terms energy: -462.330847 where: bonds (distance) C4'-P energy: -130.897 bonds (distance) P-C4' energy: -148.445 flat angles C4'-P-C4' energy: -116.765 flat angles P-C4'-P energy: -77.751 tors. eta vs tors. theta energy: 11.527 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: 163 Temperature: 0.900000 Total energy: -3087.077590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.077590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.077590 (E_RNA) where: Base-Base interactions energy: -2194.635 where: short stacking energy: -874.035 Base-Backbone interact. energy: -7.935 local terms energy: -884.508047 where: bonds (distance) C4'-P energy: -164.447 bonds (distance) P-C4' energy: -149.070 flat angles C4'-P-C4' energy: -194.716 flat angles P-C4'-P energy: -130.401 tors. eta vs tors. theta energy: -245.874 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: 1 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2871.718179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.718179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.718179 (E_RNA) where: Base-Base interactions energy: -1996.841 where: short stacking energy: -827.292 Base-Backbone interact. energy: -4.450 local terms energy: -870.426960 where: bonds (distance) C4'-P energy: -156.290 bonds (distance) P-C4' energy: -167.335 flat angles C4'-P-C4' energy: -190.768 flat angles P-C4'-P energy: -126.620 tors. eta vs tors. theta energy: -229.414 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: 5 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2697.852170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.852170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.852170 (E_RNA) where: Base-Base interactions energy: -1865.901 where: short stacking energy: -776.996 Base-Backbone interact. energy: -2.202 local terms energy: -829.748805 where: bonds (distance) C4'-P energy: -158.439 bonds (distance) P-C4' energy: -158.475 flat angles C4'-P-C4' energy: -177.280 flat angles P-C4'-P energy: -121.072 tors. eta vs tors. theta energy: -214.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2609.146239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.146239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.146239 (E_RNA) where: Base-Base interactions energy: -1800.346 where: short stacking energy: -767.270 Base-Backbone interact. energy: -4.232 local terms energy: -804.568463 where: bonds (distance) C4'-P energy: -133.404 bonds (distance) P-C4' energy: -163.676 flat angles C4'-P-C4' energy: -178.326 flat angles P-C4'-P energy: -110.358 tors. eta vs tors. theta energy: -218.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -2397.330332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.330332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.330332 (E_RNA) where: Base-Base interactions energy: -1654.592 where: short stacking energy: -682.545 Base-Backbone interact. energy: 3.058 local terms energy: -745.796304 where: bonds (distance) C4'-P energy: -132.832 bonds (distance) P-C4' energy: -159.347 flat angles C4'-P-C4' energy: -165.020 flat angles P-C4'-P energy: -103.140 tors. eta vs tors. theta energy: -185.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -2371.393354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.393354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.393354 (E_RNA) where: Base-Base interactions energy: -1671.627 where: short stacking energy: -693.515 Base-Backbone interact. energy: -0.444 local terms energy: -699.322050 where: bonds (distance) C4'-P energy: -139.190 bonds (distance) P-C4' energy: -142.312 flat angles C4'-P-C4' energy: -149.749 flat angles P-C4'-P energy: -91.547 tors. eta vs tors. theta energy: -176.524 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: 6 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -2083.430312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.430312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.430312 (E_RNA) where: Base-Base interactions energy: -1400.805 where: short stacking energy: -595.296 Base-Backbone interact. energy: -2.443 local terms energy: -680.181840 where: bonds (distance) C4'-P energy: -141.446 bonds (distance) P-C4' energy: -144.652 flat angles C4'-P-C4' energy: -158.310 flat angles P-C4'-P energy: -84.321 tors. eta vs tors. theta energy: -151.452 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: 163 Temperature: 1.250000 Total energy: -1891.303497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.303497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.303497 (E_RNA) where: Base-Base interactions energy: -1270.660 where: short stacking energy: -569.959 Base-Backbone interact. energy: -3.232 local terms energy: -617.411721 where: bonds (distance) C4'-P energy: -115.075 bonds (distance) P-C4' energy: -147.792 flat angles C4'-P-C4' energy: -132.826 flat angles P-C4'-P energy: -88.755 tors. eta vs tors. theta energy: -132.964 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: 163 Temperature: 1.300000 Total energy: -1379.536791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.536791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.536791 (E_RNA) where: Base-Base interactions energy: -830.712 where: short stacking energy: -373.266 Base-Backbone interact. energy: -2.685 local terms energy: -546.139616 where: bonds (distance) C4'-P energy: -146.984 bonds (distance) P-C4' energy: -147.152 flat angles C4'-P-C4' energy: -136.243 flat angles P-C4'-P energy: -68.905 tors. eta vs tors. theta energy: -46.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -895.411966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.411966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.411966 (E_RNA) where: Base-Base interactions energy: -432.509 where: short stacking energy: -251.744 Base-Backbone interact. energy: 1.146 local terms energy: -464.049130 where: bonds (distance) C4'-P energy: -145.944 bonds (distance) P-C4' energy: -136.174 flat angles C4'-P-C4' energy: -123.127 flat angles P-C4'-P energy: -68.733 tors. eta vs tors. theta energy: 9.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -3087.332740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.332740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.332740 (E_RNA) where: Base-Base interactions energy: -2187.923 where: short stacking energy: -875.354 Base-Backbone interact. energy: -7.597 local terms energy: -891.812298 where: bonds (distance) C4'-P energy: -171.272 bonds (distance) P-C4' energy: -170.498 flat angles C4'-P-C4' energy: -181.246 flat angles P-C4'-P energy: -126.607 tors. eta vs tors. theta energy: -242.190 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: 164 Temperature: 0.950000 Total energy: -2841.501923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.501923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.501923 (E_RNA) where: Base-Base interactions energy: -1973.019 where: short stacking energy: -826.592 Base-Backbone interact. energy: -2.355 local terms energy: -866.128085 where: bonds (distance) C4'-P energy: -162.155 bonds (distance) P-C4' energy: -167.368 flat angles C4'-P-C4' energy: -175.447 flat angles P-C4'-P energy: -120.044 tors. eta vs tors. theta energy: -241.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2703.875189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.875189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.875189 (E_RNA) where: Base-Base interactions energy: -1878.049 where: short stacking energy: -784.713 Base-Backbone interact. energy: -2.943 local terms energy: -822.882757 where: bonds (distance) C4'-P energy: -146.906 bonds (distance) P-C4' energy: -162.996 flat angles C4'-P-C4' energy: -174.522 flat angles P-C4'-P energy: -115.764 tors. eta vs tors. theta energy: -222.694 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: 4 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2603.118244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.118244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.118244 (E_RNA) where: Base-Base interactions energy: -1809.858 where: short stacking energy: -782.488 Base-Backbone interact. energy: -2.652 local terms energy: -790.608209 where: bonds (distance) C4'-P energy: -152.476 bonds (distance) P-C4' energy: -144.807 flat angles C4'-P-C4' energy: -168.062 flat angles P-C4'-P energy: -111.060 tors. eta vs tors. theta energy: -214.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2457.469535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.469535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.469535 (E_RNA) where: Base-Base interactions energy: -1692.044 where: short stacking energy: -695.011 Base-Backbone interact. energy: 1.601 local terms energy: -767.026673 where: bonds (distance) C4'-P energy: -142.634 bonds (distance) P-C4' energy: -144.580 flat angles C4'-P-C4' energy: -168.704 flat angles P-C4'-P energy: -124.051 tors. eta vs tors. theta energy: -187.058 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: 6, replica: 8 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -2366.387583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.387583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.387583 (E_RNA) where: Base-Base interactions energy: -1624.744 where: short stacking energy: -672.120 Base-Backbone interact. energy: -4.528 local terms energy: -737.115896 where: bonds (distance) C4'-P energy: -146.004 bonds (distance) P-C4' energy: -165.576 flat angles C4'-P-C4' energy: -153.670 flat angles P-C4'-P energy: -79.484 tors. eta vs tors. theta energy: -192.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -2125.848793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.848793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.848793 (E_RNA) where: Base-Base interactions energy: -1428.524 where: short stacking energy: -656.627 Base-Backbone interact. energy: -1.761 local terms energy: -695.564134 where: bonds (distance) C4'-P energy: -135.512 bonds (distance) P-C4' energy: -148.624 flat angles C4'-P-C4' energy: -148.185 flat angles P-C4'-P energy: -95.721 tors. eta vs tors. theta energy: -167.523 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: 2 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1863.384532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.384532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.384532 (E_RNA) where: Base-Base interactions energy: -1260.709 where: short stacking energy: -529.644 Base-Backbone interact. energy: -3.644 local terms energy: -600.798125 where: bonds (distance) C4'-P energy: -119.900 bonds (distance) P-C4' energy: -140.321 flat angles C4'-P-C4' energy: -123.939 flat angles P-C4'-P energy: -93.995 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: 1.767 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1374.402052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.402052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.402052 (E_RNA) where: Base-Base interactions energy: -827.302 where: short stacking energy: -402.998 Base-Backbone interact. energy: -1.726 local terms energy: -545.374828 where: bonds (distance) C4'-P energy: -134.044 bonds (distance) P-C4' energy: -153.989 flat angles C4'-P-C4' energy: -129.584 flat angles P-C4'-P energy: -77.534 tors. eta vs tors. theta energy: -50.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -1047.482053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.482053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.482053 (E_RNA) where: Base-Base interactions energy: -568.607 where: short stacking energy: -309.134 Base-Backbone interact. energy: 0.595 local terms energy: -479.469728 where: bonds (distance) C4'-P energy: -117.657 bonds (distance) P-C4' energy: -131.675 flat angles C4'-P-C4' energy: -127.867 flat angles P-C4'-P energy: -80.283 tors. eta vs tors. theta energy: -21.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -3027.354835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.354835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.354835 (E_RNA) where: Base-Base interactions energy: -2169.205 where: short stacking energy: -854.010 Base-Backbone interact. energy: -6.045 local terms energy: -852.104246 where: bonds (distance) C4'-P energy: -159.780 bonds (distance) P-C4' energy: -154.193 flat angles C4'-P-C4' energy: -180.782 flat angles P-C4'-P energy: -125.321 tors. eta vs tors. theta energy: -232.028 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: 1 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2883.011676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.011676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.011676 (E_RNA) where: Base-Base interactions energy: -2009.039 where: short stacking energy: -828.487 Base-Backbone interact. energy: -3.335 local terms energy: -870.637489 where: bonds (distance) C4'-P energy: -150.921 bonds (distance) P-C4' energy: -164.098 flat angles C4'-P-C4' energy: -193.785 flat angles P-C4'-P energy: -125.074 tors. eta vs tors. theta energy: -236.760 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: 5 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2713.368116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.368116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.368116 (E_RNA) where: Base-Base interactions energy: -1893.459 where: short stacking energy: -795.127 Base-Backbone interact. energy: -3.815 local terms energy: -816.094398 where: bonds (distance) C4'-P energy: -148.230 bonds (distance) P-C4' energy: -167.110 flat angles C4'-P-C4' energy: -162.231 flat angles P-C4'-P energy: -119.511 tors. eta vs tors. theta energy: -219.012 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: 4 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2585.672328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.672328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.672328 (E_RNA) where: Base-Base interactions energy: -1791.286 where: short stacking energy: -745.079 Base-Backbone interact. energy: -4.615 local terms energy: -789.771002 where: bonds (distance) C4'-P energy: -137.710 bonds (distance) P-C4' energy: -146.604 flat angles C4'-P-C4' energy: -177.236 flat angles P-C4'-P energy: -129.607 tors. eta vs tors. theta energy: -198.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2448.536039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.536039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.536039 (E_RNA) where: Base-Base interactions energy: -1694.359 where: short stacking energy: -733.161 Base-Backbone interact. energy: -0.892 local terms energy: -753.284912 where: bonds (distance) C4'-P energy: -137.318 bonds (distance) P-C4' energy: -149.623 flat angles C4'-P-C4' energy: -172.475 flat angles P-C4'-P energy: -91.075 tors. eta vs tors. theta energy: -202.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -2346.577326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.577326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.577326 (E_RNA) where: Base-Base interactions energy: -1609.568 where: short stacking energy: -674.178 Base-Backbone interact. energy: 1.039 local terms energy: -738.047544 where: bonds (distance) C4'-P energy: -130.156 bonds (distance) P-C4' energy: -167.479 flat angles C4'-P-C4' energy: -154.178 flat angles P-C4'-P energy: -101.954 tors. eta vs tors. theta energy: -184.281 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: 7, replica: 6 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -2190.694006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.694006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.694006 (E_RNA) where: Base-Base interactions energy: -1476.440 where: short stacking energy: -625.175 Base-Backbone interact. energy: 0.119 local terms energy: -714.373100 where: bonds (distance) C4'-P energy: -131.395 bonds (distance) P-C4' energy: -158.801 flat angles C4'-P-C4' energy: -160.255 flat angles P-C4'-P energy: -105.091 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: 8, replica: 2 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1883.771578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.771578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.771578 (E_RNA) where: Base-Base interactions energy: -1259.144 where: short stacking energy: -547.599 Base-Backbone interact. energy: -2.634 local terms energy: -621.993988 where: bonds (distance) C4'-P energy: -131.215 bonds (distance) P-C4' energy: -138.672 flat angles C4'-P-C4' energy: -154.521 flat angles P-C4'-P energy: -84.883 tors. eta vs tors. theta energy: -112.703 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: 165 Temperature: 1.300000 Total energy: -1381.110866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.110866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.110866 (E_RNA) where: Base-Base interactions energy: -843.135 where: short stacking energy: -383.988 Base-Backbone interact. energy: -2.182 local terms energy: -535.793819 where: bonds (distance) C4'-P energy: -118.730 bonds (distance) P-C4' energy: -153.666 flat angles C4'-P-C4' energy: -139.603 flat angles P-C4'-P energy: -65.015 tors. eta vs tors. theta energy: -58.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -1019.670082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.670082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.670082 (E_RNA) where: Base-Base interactions energy: -596.504 where: short stacking energy: -334.520 Base-Backbone interact. energy: 5.971 local terms energy: -429.137836 where: bonds (distance) C4'-P energy: -116.288 bonds (distance) P-C4' energy: -135.326 flat angles C4'-P-C4' energy: -96.764 flat angles P-C4'-P energy: -50.457 tors. eta vs tors. theta energy: -30.302 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: 3 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -3070.657093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.657093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.657093 (E_RNA) where: Base-Base interactions energy: -2178.704 where: short stacking energy: -880.543 Base-Backbone interact. energy: -4.760 local terms energy: -887.193154 where: bonds (distance) C4'-P energy: -160.386 bonds (distance) P-C4' energy: -177.809 flat angles C4'-P-C4' energy: -184.935 flat angles P-C4'-P energy: -131.805 tors. eta vs tors. theta energy: -232.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2860.233475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.233475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.233475 (E_RNA) where: Base-Base interactions energy: -2017.752 where: short stacking energy: -856.079 Base-Backbone interact. energy: 1.341 local terms energy: -843.822790 where: bonds (distance) C4'-P energy: -128.248 bonds (distance) P-C4' energy: -173.450 flat angles C4'-P-C4' energy: -179.903 flat angles P-C4'-P energy: -124.686 tors. eta vs tors. theta energy: -237.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2704.446315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.446315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.446315 (E_RNA) where: Base-Base interactions energy: -1892.536 where: short stacking energy: -785.410 Base-Backbone interact. energy: -1.861 local terms energy: -810.049280 where: bonds (distance) C4'-P energy: -138.735 bonds (distance) P-C4' energy: -141.367 flat angles C4'-P-C4' energy: -187.887 flat angles P-C4'-P energy: -128.511 tors. eta vs tors. theta energy: -213.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2585.796706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.796706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.796706 (E_RNA) where: Base-Base interactions energy: -1782.781 where: short stacking energy: -756.869 Base-Backbone interact. energy: -7.207 local terms energy: -795.808954 where: bonds (distance) C4'-P energy: -152.470 bonds (distance) P-C4' energy: -143.570 flat angles C4'-P-C4' energy: -180.444 flat angles P-C4'-P energy: -115.703 tors. eta vs tors. theta energy: -203.622 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: 8 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2381.993459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.993459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.993459 (E_RNA) where: Base-Base interactions energy: -1644.510 where: short stacking energy: -703.870 Base-Backbone interact. energy: -5.484 local terms energy: -731.999999 where: bonds (distance) C4'-P energy: -135.910 bonds (distance) P-C4' energy: -141.288 flat angles C4'-P-C4' energy: -175.261 flat angles P-C4'-P energy: -104.761 tors. eta vs tors. theta energy: -174.780 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: 7 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -2370.199001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.199001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.199001 (E_RNA) where: Base-Base interactions energy: -1627.703 where: short stacking energy: -674.839 Base-Backbone interact. energy: -1.866 local terms energy: -740.630645 where: bonds (distance) C4'-P energy: -164.414 bonds (distance) P-C4' energy: -132.408 flat angles C4'-P-C4' energy: -146.283 flat angles P-C4'-P energy: -115.087 tors. eta vs tors. theta energy: -182.437 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: 6 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -2159.170823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.170823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.170823 (E_RNA) where: Base-Base interactions energy: -1469.675 where: short stacking energy: -607.940 Base-Backbone interact. energy: -0.781 local terms energy: -688.714643 where: bonds (distance) C4'-P energy: -129.588 bonds (distance) P-C4' energy: -156.554 flat angles C4'-P-C4' energy: -159.204 flat angles P-C4'-P energy: -88.352 tors. eta vs tors. theta energy: -155.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1851.851682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.851682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.851682 (E_RNA) where: Base-Base interactions energy: -1202.868 where: short stacking energy: -506.979 Base-Backbone interact. energy: -2.516 local terms energy: -646.467764 where: bonds (distance) C4'-P energy: -139.265 bonds (distance) P-C4' energy: -138.103 flat angles C4'-P-C4' energy: -145.140 flat angles P-C4'-P energy: -101.077 tors. eta vs tors. theta energy: -122.883 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: 9, replica: 9 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1438.355971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.355971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.355971 (E_RNA) where: Base-Base interactions energy: -885.528 where: short stacking energy: -408.181 Base-Backbone interact. energy: 1.222 local terms energy: -554.050168 where: bonds (distance) C4'-P energy: -126.034 bonds (distance) P-C4' energy: -141.264 flat angles C4'-P-C4' energy: -125.257 flat angles P-C4'-P energy: -80.239 tors. eta vs tors. theta energy: -81.256 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: 10 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -971.322531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.322531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.322531 (E_RNA) where: Base-Base interactions energy: -479.937 where: short stacking energy: -258.676 Base-Backbone interact. energy: 2.062 local terms energy: -493.447998 where: bonds (distance) C4'-P energy: -136.038 bonds (distance) P-C4' energy: -158.699 flat angles C4'-P-C4' energy: -127.977 flat angles P-C4'-P energy: -72.123 tors. eta vs tors. theta energy: 1.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -3066.432552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.432552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.432552 (E_RNA) where: Base-Base interactions energy: -2175.167 where: short stacking energy: -865.224 Base-Backbone interact. energy: -4.940 local terms energy: -886.326420 where: bonds (distance) C4'-P energy: -163.234 bonds (distance) P-C4' energy: -182.300 flat angles C4'-P-C4' energy: -184.435 flat angles P-C4'-P energy: -131.356 tors. eta vs tors. theta energy: -225.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2818.764666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.764666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.764666 (E_RNA) where: Base-Base interactions energy: -1962.995 where: short stacking energy: -820.941 Base-Backbone interact. energy: -4.670 local terms energy: -851.099601 where: bonds (distance) C4'-P energy: -146.129 bonds (distance) P-C4' energy: -155.428 flat angles C4'-P-C4' energy: -182.568 flat angles P-C4'-P energy: -131.159 tors. eta vs tors. theta energy: -235.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2668.488407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.488407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.488407 (E_RNA) where: Base-Base interactions energy: -1857.416 where: short stacking energy: -797.373 Base-Backbone interact. energy: -3.976 local terms energy: -807.096070 where: bonds (distance) C4'-P energy: -151.652 bonds (distance) P-C4' energy: -151.405 flat angles C4'-P-C4' energy: -170.491 flat angles P-C4'-P energy: -121.489 tors. eta vs tors. theta energy: -212.060 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: 167 Temperature: 1.050000 Total energy: -2576.380342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.380342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.380342 (E_RNA) where: Base-Base interactions energy: -1769.888 where: short stacking energy: -741.534 Base-Backbone interact. energy: -3.318 local terms energy: -803.175056 where: bonds (distance) C4'-P energy: -131.476 bonds (distance) P-C4' energy: -162.093 flat angles C4'-P-C4' energy: -182.769 flat angles P-C4'-P energy: -130.981 tors. eta vs tors. theta energy: -195.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2418.856103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.856103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.856103 (E_RNA) where: Base-Base interactions energy: -1639.615 where: short stacking energy: -718.233 Base-Backbone interact. energy: -6.780 local terms energy: -772.461038 where: bonds (distance) C4'-P energy: -151.170 bonds (distance) P-C4' energy: -151.518 flat angles C4'-P-C4' energy: -162.769 flat angles P-C4'-P energy: -103.349 tors. eta vs tors. theta energy: -203.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -2318.940976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.940976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.940976 (E_RNA) where: Base-Base interactions energy: -1565.381 where: short stacking energy: -674.182 Base-Backbone interact. energy: -4.234 local terms energy: -749.325876 where: bonds (distance) C4'-P energy: -147.593 bonds (distance) P-C4' energy: -147.943 flat angles C4'-P-C4' energy: -162.056 flat angles P-C4'-P energy: -117.119 tors. eta vs tors. theta energy: -174.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -2183.660831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.660831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.660831 (E_RNA) where: Base-Base interactions energy: -1485.419 where: short stacking energy: -634.921 Base-Backbone interact. energy: 0.882 local terms energy: -699.123425 where: bonds (distance) C4'-P energy: -128.684 bonds (distance) P-C4' energy: -144.345 flat angles C4'-P-C4' energy: -163.155 flat angles P-C4'-P energy: -99.065 tors. eta vs tors. theta energy: -163.875 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: 2 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1815.427744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.427744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.427744 (E_RNA) where: Base-Base interactions energy: -1192.563 where: short stacking energy: -504.434 Base-Backbone interact. energy: -2.619 local terms energy: -620.245528 where: bonds (distance) C4'-P energy: -118.116 bonds (distance) P-C4' energy: -142.110 flat angles C4'-P-C4' energy: -148.545 flat angles P-C4'-P energy: -98.358 tors. eta vs tors. theta energy: -113.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1395.856772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.856772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.856772 (E_RNA) where: Base-Base interactions energy: -855.979 where: short stacking energy: -389.658 Base-Backbone interact. energy: -1.685 local terms energy: -538.191972 where: bonds (distance) C4'-P energy: -123.298 bonds (distance) P-C4' energy: -147.844 flat angles C4'-P-C4' energy: -139.755 flat angles P-C4'-P energy: -80.573 tors. eta vs tors. theta energy: -46.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -921.597467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.597467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.597467 (E_RNA) where: Base-Base interactions energy: -463.455 where: short stacking energy: -275.639 Base-Backbone interact. energy: 4.465 local terms energy: -462.607396 where: bonds (distance) C4'-P energy: -125.786 bonds (distance) P-C4' energy: -143.662 flat angles C4'-P-C4' energy: -130.990 flat angles P-C4'-P energy: -75.462 tors. eta vs tors. theta energy: 13.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -3053.150183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.150183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.150183 (E_RNA) where: Base-Base interactions energy: -2167.525 where: short stacking energy: -857.690 Base-Backbone interact. energy: -5.411 local terms energy: -880.214089 where: bonds (distance) C4'-P energy: -159.040 bonds (distance) P-C4' energy: -170.718 flat angles C4'-P-C4' energy: -181.648 flat angles P-C4'-P energy: -135.381 tors. eta vs tors. theta energy: -233.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2882.671084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.671084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.671084 (E_RNA) where: Base-Base interactions energy: -1996.804 where: short stacking energy: -840.892 Base-Backbone interact. energy: -1.360 local terms energy: -884.506897 where: bonds (distance) C4'-P energy: -152.052 bonds (distance) P-C4' energy: -170.743 flat angles C4'-P-C4' energy: -193.950 flat angles P-C4'-P energy: -126.832 tors. eta vs tors. theta energy: -240.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2664.025214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.025214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.025214 (E_RNA) where: Base-Base interactions energy: -1837.651 where: short stacking energy: -778.766 Base-Backbone interact. energy: -0.973 local terms energy: -825.401230 where: bonds (distance) C4'-P energy: -158.069 bonds (distance) P-C4' energy: -173.546 flat angles C4'-P-C4' energy: -166.684 flat angles P-C4'-P energy: -131.378 tors. eta vs tors. theta energy: -195.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2601.704078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.704078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.704078 (E_RNA) where: Base-Base interactions energy: -1796.137 where: short stacking energy: -760.921 Base-Backbone interact. energy: -5.151 local terms energy: -800.416061 where: bonds (distance) C4'-P energy: -158.058 bonds (distance) P-C4' energy: -147.860 flat angles C4'-P-C4' energy: -165.953 flat angles P-C4'-P energy: -120.161 tors. eta vs tors. theta energy: -208.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2398.562275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.562275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.562275 (E_RNA) where: Base-Base interactions energy: -1626.600 where: short stacking energy: -709.350 Base-Backbone interact. energy: 2.952 local terms energy: -774.914268 where: bonds (distance) C4'-P energy: -137.725 bonds (distance) P-C4' energy: -164.687 flat angles C4'-P-C4' energy: -170.229 flat angles P-C4'-P energy: -101.602 tors. eta vs tors. theta energy: -200.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -2286.465603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.465603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.465603 (E_RNA) where: Base-Base interactions energy: -1579.772 where: short stacking energy: -669.766 Base-Backbone interact. energy: -3.499 local terms energy: -703.194642 where: bonds (distance) C4'-P energy: -129.003 bonds (distance) P-C4' energy: -161.232 flat angles C4'-P-C4' energy: -163.757 flat angles P-C4'-P energy: -75.821 tors. eta vs tors. theta energy: -173.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -2171.749718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.749718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.749718 (E_RNA) where: Base-Base interactions energy: -1489.864 where: short stacking energy: -621.920 Base-Backbone interact. energy: 2.184 local terms energy: -684.069728 where: bonds (distance) C4'-P energy: -124.507 bonds (distance) P-C4' energy: -152.661 flat angles C4'-P-C4' energy: -141.291 flat angles P-C4'-P energy: -104.492 tors. eta vs tors. theta energy: -161.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1831.260301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.260301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.260301 (E_RNA) where: Base-Base interactions energy: -1198.018 where: short stacking energy: -519.528 Base-Backbone interact. energy: -1.279 local terms energy: -631.962957 where: bonds (distance) C4'-P energy: -122.368 bonds (distance) P-C4' energy: -161.429 flat angles C4'-P-C4' energy: -149.888 flat angles P-C4'-P energy: -82.823 tors. eta vs tors. theta energy: -115.455 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: 168 Temperature: 1.300000 Total energy: -1414.300472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.300472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.300472 (E_RNA) where: Base-Base interactions energy: -880.630 where: short stacking energy: -405.932 Base-Backbone interact. energy: -2.430 local terms energy: -531.240849 where: bonds (distance) C4'-P energy: -110.799 bonds (distance) P-C4' energy: -136.889 flat angles C4'-P-C4' energy: -144.086 flat angles P-C4'-P energy: -84.842 tors. eta vs tors. theta energy: -54.625 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: 10 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -930.929508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.929508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.929508 (E_RNA) where: Base-Base interactions energy: -494.923 where: short stacking energy: -285.104 Base-Backbone interact. energy: -3.767 local terms energy: -432.239983 where: bonds (distance) C4'-P energy: -118.362 bonds (distance) P-C4' energy: -141.963 flat angles C4'-P-C4' energy: -106.760 flat angles P-C4'-P energy: -52.284 tors. eta vs tors. theta energy: -12.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -3106.621603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.621603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.621603 (E_RNA) where: Base-Base interactions energy: -2227.084 where: short stacking energy: -890.490 Base-Backbone interact. energy: -2.142 local terms energy: -877.396282 where: bonds (distance) C4'-P energy: -149.810 bonds (distance) P-C4' energy: -167.570 flat angles C4'-P-C4' energy: -186.401 flat angles P-C4'-P energy: -132.751 tors. eta vs tors. theta energy: -240.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2866.632889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.632889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.632889 (E_RNA) where: Base-Base interactions energy: -1976.448 where: short stacking energy: -830.839 Base-Backbone interact. energy: 0.008 local terms energy: -890.192923 where: bonds (distance) C4'-P energy: -164.067 bonds (distance) P-C4' energy: -172.968 flat angles C4'-P-C4' energy: -188.641 flat angles P-C4'-P energy: -118.172 tors. eta vs tors. theta energy: -246.345 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: 5 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2686.018999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.018999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.018999 (E_RNA) where: Base-Base interactions energy: -1871.937 where: short stacking energy: -779.173 Base-Backbone interact. energy: -2.229 local terms energy: -811.852089 where: bonds (distance) C4'-P energy: -152.364 bonds (distance) P-C4' energy: -168.862 flat angles C4'-P-C4' energy: -156.320 flat angles P-C4'-P energy: -123.851 tors. eta vs tors. theta energy: -210.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2585.409243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.409243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.409243 (E_RNA) where: Base-Base interactions energy: -1792.586 where: short stacking energy: -744.907 Base-Backbone interact. energy: -5.123 local terms energy: -787.699961 where: bonds (distance) C4'-P energy: -143.725 bonds (distance) P-C4' energy: -146.479 flat angles C4'-P-C4' energy: -177.030 flat angles P-C4'-P energy: -109.984 tors. eta vs tors. theta energy: -210.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2435.948867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.948867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.948867 (E_RNA) where: Base-Base interactions energy: -1662.173 where: short stacking energy: -713.674 Base-Backbone interact. energy: 0.924 local terms energy: -774.699804 where: bonds (distance) C4'-P energy: -143.432 bonds (distance) P-C4' energy: -148.060 flat angles C4'-P-C4' energy: -174.049 flat angles P-C4'-P energy: -111.389 tors. eta vs tors. theta energy: -197.769 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: 7 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -2307.203780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.203780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.203780 (E_RNA) where: Base-Base interactions energy: -1589.754 where: short stacking energy: -650.838 Base-Backbone interact. energy: -2.616 local terms energy: -714.834219 where: bonds (distance) C4'-P energy: -150.422 bonds (distance) P-C4' energy: -157.393 flat angles C4'-P-C4' energy: -147.108 flat angles P-C4'-P energy: -95.511 tors. eta vs tors. theta energy: -164.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -2246.898789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.898789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.898789 (E_RNA) where: Base-Base interactions energy: -1518.883 where: short stacking energy: -649.535 Base-Backbone interact. energy: -1.053 local terms energy: -726.962865 where: bonds (distance) C4'-P energy: -148.946 bonds (distance) P-C4' energy: -152.095 flat angles C4'-P-C4' energy: -161.647 flat angles P-C4'-P energy: -87.060 tors. eta vs tors. theta energy: -177.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1808.228096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.228096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.228096 (E_RNA) where: Base-Base interactions energy: -1169.814 where: short stacking energy: -486.241 Base-Backbone interact. energy: -4.391 local terms energy: -634.022571 where: bonds (distance) C4'-P energy: -139.073 bonds (distance) P-C4' energy: -140.677 flat angles C4'-P-C4' energy: -144.465 flat angles P-C4'-P energy: -93.944 tors. eta vs tors. theta energy: -115.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1415.456316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.456316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.456316 (E_RNA) where: Base-Base interactions energy: -856.899 where: short stacking energy: -381.503 Base-Backbone interact. energy: -2.222 local terms energy: -556.334804 where: bonds (distance) C4'-P energy: -136.821 bonds (distance) P-C4' energy: -148.932 flat angles C4'-P-C4' energy: -121.902 flat angles P-C4'-P energy: -79.555 tors. eta vs tors. theta energy: -69.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -944.666952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.666952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.666952 (E_RNA) where: Base-Base interactions energy: -462.017 where: short stacking energy: -263.177 Base-Backbone interact. energy: 5.805 local terms energy: -488.454332 where: bonds (distance) C4'-P energy: -121.793 bonds (distance) P-C4' energy: -146.578 flat angles C4'-P-C4' energy: -105.101 flat angles P-C4'-P energy: -80.696 tors. eta vs tors. theta energy: -34.286 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: 3 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -3076.177919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.177919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.177919 (E_RNA) where: Base-Base interactions energy: -2199.661 where: short stacking energy: -879.806 Base-Backbone interact. energy: -5.327 local terms energy: -871.189391 where: bonds (distance) C4'-P energy: -147.310 bonds (distance) P-C4' energy: -172.542 flat angles C4'-P-C4' energy: -184.090 flat angles P-C4'-P energy: -133.255 tors. eta vs tors. theta energy: -233.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2866.731968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.731968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.731968 (E_RNA) where: Base-Base interactions energy: -2014.376 where: short stacking energy: -843.549 Base-Backbone interact. energy: -3.334 local terms energy: -849.022293 where: bonds (distance) C4'-P energy: -158.554 bonds (distance) P-C4' energy: -155.464 flat angles C4'-P-C4' energy: -192.464 flat angles P-C4'-P energy: -104.516 tors. eta vs tors. theta energy: -238.025 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: 5 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2646.356108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.356108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.356108 (E_RNA) where: Base-Base interactions energy: -1838.278 where: short stacking energy: -772.265 Base-Backbone interact. energy: -1.327 local terms energy: -806.751766 where: bonds (distance) C4'-P energy: -147.586 bonds (distance) P-C4' energy: -159.966 flat angles C4'-P-C4' energy: -181.472 flat angles P-C4'-P energy: -108.354 tors. eta vs tors. theta energy: -209.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2607.399198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.399198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.399198 (E_RNA) where: Base-Base interactions energy: -1806.316 where: short stacking energy: -765.041 Base-Backbone interact. energy: -2.017 local terms energy: -799.066886 where: bonds (distance) C4'-P energy: -153.188 bonds (distance) P-C4' energy: -157.541 flat angles C4'-P-C4' energy: -168.524 flat angles P-C4'-P energy: -113.194 tors. eta vs tors. theta energy: -206.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2400.935267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.935267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.935267 (E_RNA) where: Base-Base interactions energy: -1650.723 where: short stacking energy: -710.140 Base-Backbone interact. energy: -3.662 local terms energy: -746.550364 where: bonds (distance) C4'-P energy: -135.753 bonds (distance) P-C4' energy: -152.946 flat angles C4'-P-C4' energy: -159.329 flat angles P-C4'-P energy: -111.585 tors. eta vs tors. theta energy: -186.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -2303.823531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.823531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.823531 (E_RNA) where: Base-Base interactions energy: -1583.889 where: short stacking energy: -664.528 Base-Backbone interact. energy: -2.220 local terms energy: -717.714514 where: bonds (distance) C4'-P energy: -133.863 bonds (distance) P-C4' energy: -144.572 flat angles C4'-P-C4' energy: -165.685 flat angles P-C4'-P energy: -87.186 tors. eta vs tors. theta energy: -186.408 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: 170 Temperature: 1.200000 Total energy: -2247.209919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.209919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.209919 (E_RNA) where: Base-Base interactions energy: -1552.902 where: short stacking energy: -676.615 Base-Backbone interact. energy: -1.287 local terms energy: -693.020798 where: bonds (distance) C4'-P energy: -132.862 bonds (distance) P-C4' energy: -148.099 flat angles C4'-P-C4' energy: -140.466 flat angles P-C4'-P energy: -93.473 tors. eta vs tors. theta energy: -178.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1801.566705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.566705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.566705 (E_RNA) where: Base-Base interactions energy: -1157.194 where: short stacking energy: -530.596 Base-Backbone interact. energy: 1.853 local terms energy: -646.226406 where: bonds (distance) C4'-P energy: -132.301 bonds (distance) P-C4' energy: -157.325 flat angles C4'-P-C4' energy: -152.839 flat angles P-C4'-P energy: -94.774 tors. eta vs tors. theta energy: -108.988 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: 170 Temperature: 1.300000 Total energy: -1362.371621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.371621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.371621 (E_RNA) where: Base-Base interactions energy: -813.457 where: short stacking energy: -370.931 Base-Backbone interact. energy: 5.683 local terms energy: -554.598143 where: bonds (distance) C4'-P energy: -126.096 bonds (distance) P-C4' energy: -148.689 flat angles C4'-P-C4' energy: -141.755 flat angles P-C4'-P energy: -86.670 tors. eta vs tors. theta energy: -51.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -951.146044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.146044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.146044 (E_RNA) where: Base-Base interactions energy: -500.289 where: short stacking energy: -306.102 Base-Backbone interact. energy: 0.803 local terms energy: -451.659812 where: bonds (distance) C4'-P energy: -125.324 bonds (distance) P-C4' energy: -145.264 flat angles C4'-P-C4' energy: -116.720 flat angles P-C4'-P energy: -67.180 tors. eta vs tors. theta energy: 2.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -3079.529788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.529788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.529788 (E_RNA) where: Base-Base interactions energy: -2178.511 where: short stacking energy: -861.010 Base-Backbone interact. energy: -4.407 local terms energy: -896.611706 where: bonds (distance) C4'-P energy: -168.891 bonds (distance) P-C4' energy: -175.152 flat angles C4'-P-C4' energy: -183.550 flat angles P-C4'-P energy: -128.591 tors. eta vs tors. theta energy: -240.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2802.840119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.840119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.840119 (E_RNA) where: Base-Base interactions energy: -1944.864 where: short stacking energy: -798.826 Base-Backbone interact. energy: -3.448 local terms energy: -854.528364 where: bonds (distance) C4'-P energy: -157.197 bonds (distance) P-C4' energy: -175.695 flat angles C4'-P-C4' energy: -183.577 flat angles P-C4'-P energy: -106.915 tors. eta vs tors. theta energy: -231.144 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: 5 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2677.344216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.344216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.344216 (E_RNA) where: Base-Base interactions energy: -1865.224 where: short stacking energy: -757.435 Base-Backbone interact. energy: -4.259 local terms energy: -807.861385 where: bonds (distance) C4'-P energy: -144.787 bonds (distance) P-C4' energy: -162.509 flat angles C4'-P-C4' energy: -172.707 flat angles P-C4'-P energy: -116.958 tors. eta vs tors. theta energy: -210.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2574.290616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.290616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.290616 (E_RNA) where: Base-Base interactions energy: -1773.297 where: short stacking energy: -742.914 Base-Backbone interact. energy: -5.088 local terms energy: -795.905611 where: bonds (distance) C4'-P energy: -151.550 bonds (distance) P-C4' energy: -150.098 flat angles C4'-P-C4' energy: -170.245 flat angles P-C4'-P energy: -124.046 tors. eta vs tors. theta energy: -199.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2369.581248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.581248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.581248 (E_RNA) where: Base-Base interactions energy: -1654.986 where: short stacking energy: -680.432 Base-Backbone interact. energy: -3.558 local terms energy: -711.037565 where: bonds (distance) C4'-P energy: -130.704 bonds (distance) P-C4' energy: -156.199 flat angles C4'-P-C4' energy: -161.243 flat angles P-C4'-P energy: -85.761 tors. eta vs tors. theta energy: -177.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -2317.417104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.417104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.417104 (E_RNA) where: Base-Base interactions energy: -1604.763 where: short stacking energy: -658.809 Base-Backbone interact. energy: 0.897 local terms energy: -713.550818 where: bonds (distance) C4'-P energy: -139.530 bonds (distance) P-C4' energy: -146.865 flat angles C4'-P-C4' energy: -150.152 flat angles P-C4'-P energy: -96.905 tors. eta vs tors. theta energy: -180.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -2208.420415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.420415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.420415 (E_RNA) where: Base-Base interactions energy: -1505.646 where: short stacking energy: -627.748 Base-Backbone interact. energy: -1.149 local terms energy: -701.625550 where: bonds (distance) C4'-P energy: -129.673 bonds (distance) P-C4' energy: -147.677 flat angles C4'-P-C4' energy: -161.614 flat angles P-C4'-P energy: -105.450 tors. eta vs tors. theta energy: -157.211 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: 2 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1808.712135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.712135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.712135 (E_RNA) where: Base-Base interactions energy: -1192.937 where: short stacking energy: -538.004 Base-Backbone interact. energy: 3.425 local terms energy: -619.199634 where: bonds (distance) C4'-P energy: -142.211 bonds (distance) P-C4' energy: -151.178 flat angles C4'-P-C4' energy: -141.357 flat angles P-C4'-P energy: -74.051 tors. eta vs tors. theta energy: -110.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1365.523028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.523028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.523028 (E_RNA) where: Base-Base interactions energy: -860.362 where: short stacking energy: -399.459 Base-Backbone interact. energy: 0.996 local terms energy: -506.157293 where: bonds (distance) C4'-P energy: -118.250 bonds (distance) P-C4' energy: -127.353 flat angles C4'-P-C4' energy: -129.833 flat angles P-C4'-P energy: -72.117 tors. eta vs tors. theta energy: -58.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -902.418504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.418504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.418504 (E_RNA) where: Base-Base interactions energy: -482.432 where: short stacking energy: -270.475 Base-Backbone interact. energy: 3.228 local terms energy: -423.214624 where: bonds (distance) C4'-P energy: -116.353 bonds (distance) P-C4' energy: -148.519 flat angles C4'-P-C4' energy: -99.999 flat angles P-C4'-P energy: -56.328 tors. eta vs tors. theta energy: -2.016 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: 172 Temperature: 0.900000 Total energy: -3051.482128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.482128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.482128 (E_RNA) where: Base-Base interactions energy: -2171.812 where: short stacking energy: -863.439 Base-Backbone interact. energy: -5.318 local terms energy: -874.352162 where: bonds (distance) C4'-P energy: -151.868 bonds (distance) P-C4' energy: -162.636 flat angles C4'-P-C4' energy: -192.756 flat angles P-C4'-P energy: -130.270 tors. eta vs tors. theta energy: -236.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2816.715170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.715170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.715170 (E_RNA) where: Base-Base interactions energy: -1961.511 where: short stacking energy: -821.936 Base-Backbone interact. energy: 2.564 local terms energy: -857.767689 where: bonds (distance) C4'-P energy: -136.789 bonds (distance) P-C4' energy: -177.631 flat angles C4'-P-C4' energy: -183.560 flat angles P-C4'-P energy: -124.650 tors. eta vs tors. theta energy: -235.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2650.620988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.620988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.620988 (E_RNA) where: Base-Base interactions energy: -1843.816 where: short stacking energy: -782.671 Base-Backbone interact. energy: -7.733 local terms energy: -799.072001 where: bonds (distance) C4'-P energy: -131.646 bonds (distance) P-C4' energy: -169.046 flat angles C4'-P-C4' energy: -172.902 flat angles P-C4'-P energy: -118.340 tors. eta vs tors. theta energy: -207.138 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: 5 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2593.255944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.255944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.255944 (E_RNA) where: Base-Base interactions energy: -1801.780 where: short stacking energy: -759.437 Base-Backbone interact. energy: -2.367 local terms energy: -789.108965 where: bonds (distance) C4'-P energy: -152.167 bonds (distance) P-C4' energy: -152.316 flat angles C4'-P-C4' energy: -167.716 flat angles P-C4'-P energy: -110.656 tors. eta vs tors. theta energy: -206.254 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: 7 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2401.422468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.422468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.422468 (E_RNA) where: Base-Base interactions energy: -1660.374 where: short stacking energy: -690.038 Base-Backbone interact. energy: -0.814 local terms energy: -740.233694 where: bonds (distance) C4'-P energy: -140.393 bonds (distance) P-C4' energy: -146.058 flat angles C4'-P-C4' energy: -167.793 flat angles P-C4'-P energy: -103.331 tors. eta vs tors. theta energy: -182.659 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: 6, replica: 8 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -2346.856514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.856514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.856514 (E_RNA) where: Base-Base interactions energy: -1631.427 where: short stacking energy: -692.726 Base-Backbone interact. energy: -4.913 local terms energy: -710.516034 where: bonds (distance) C4'-P energy: -134.671 bonds (distance) P-C4' energy: -151.409 flat angles C4'-P-C4' energy: -148.075 flat angles P-C4'-P energy: -106.070 tors. eta vs tors. theta energy: -170.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -2177.673698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.673698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.673698 (E_RNA) where: Base-Base interactions energy: -1504.375 where: short stacking energy: -638.585 Base-Backbone interact. energy: -2.664 local terms energy: -670.635361 where: bonds (distance) C4'-P energy: -126.225 bonds (distance) P-C4' energy: -122.535 flat angles C4'-P-C4' energy: -157.009 flat angles P-C4'-P energy: -97.569 tors. eta vs tors. theta energy: -167.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1828.105967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.105967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.105967 (E_RNA) where: Base-Base interactions energy: -1186.697 where: short stacking energy: -521.251 Base-Backbone interact. energy: -2.472 local terms energy: -638.937412 where: bonds (distance) C4'-P energy: -145.472 bonds (distance) P-C4' energy: -143.873 flat angles C4'-P-C4' energy: -155.756 flat angles P-C4'-P energy: -79.108 tors. eta vs tors. theta energy: -114.729 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: 9, replica: 9 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1366.957993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.957993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.957993 (E_RNA) where: Base-Base interactions energy: -836.962 where: short stacking energy: -371.634 Base-Backbone interact. energy: 0.646 local terms energy: -530.642174 where: bonds (distance) C4'-P energy: -139.070 bonds (distance) P-C4' energy: -147.989 flat angles C4'-P-C4' energy: -129.268 flat angles P-C4'-P energy: -81.033 tors. eta vs tors. theta energy: -33.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -986.170119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.170119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.170119 (E_RNA) where: Base-Base interactions energy: -479.422 where: short stacking energy: -274.889 Base-Backbone interact. energy: -0.853 local terms energy: -505.894966 where: bonds (distance) C4'-P energy: -135.233 bonds (distance) P-C4' energy: -160.168 flat angles C4'-P-C4' energy: -108.134 flat angles P-C4'-P energy: -83.305 tors. eta vs tors. theta energy: -19.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -3074.593321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.593321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.593321 (E_RNA) where: Base-Base interactions energy: -2181.682 where: short stacking energy: -881.602 Base-Backbone interact. energy: -2.527 local terms energy: -890.383810 where: bonds (distance) C4'-P energy: -156.140 bonds (distance) P-C4' energy: -179.331 flat angles C4'-P-C4' energy: -181.134 flat angles P-C4'-P energy: -140.849 tors. eta vs tors. theta energy: -232.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2786.371468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.371468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.371468 (E_RNA) where: Base-Base interactions energy: -1893.960 where: short stacking energy: -794.977 Base-Backbone interact. energy: -3.384 local terms energy: -889.027634 where: bonds (distance) C4'-P energy: -161.316 bonds (distance) P-C4' energy: -179.512 flat angles C4'-P-C4' energy: -188.184 flat angles P-C4'-P energy: -122.813 tors. eta vs tors. theta energy: -237.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2690.706495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.706495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.706495 (E_RNA) where: Base-Base interactions energy: -1867.075 where: short stacking energy: -790.248 Base-Backbone interact. energy: -0.720 local terms energy: -822.911420 where: bonds (distance) C4'-P energy: -150.632 bonds (distance) P-C4' energy: -154.847 flat angles C4'-P-C4' energy: -178.443 flat angles P-C4'-P energy: -119.605 tors. eta vs tors. theta energy: -219.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2608.554650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.554650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.554650 (E_RNA) where: Base-Base interactions energy: -1818.648 where: short stacking energy: -752.848 Base-Backbone interact. energy: -3.796 local terms energy: -786.110500 where: bonds (distance) C4'-P energy: -143.388 bonds (distance) P-C4' energy: -142.221 flat angles C4'-P-C4' energy: -179.263 flat angles P-C4'-P energy: -112.753 tors. eta vs tors. theta energy: -208.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2432.005792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.005792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.005792 (E_RNA) where: Base-Base interactions energy: -1685.548 where: short stacking energy: -684.971 Base-Backbone interact. energy: 1.448 local terms energy: -747.906001 where: bonds (distance) C4'-P energy: -131.713 bonds (distance) P-C4' energy: -156.471 flat angles C4'-P-C4' energy: -165.895 flat angles P-C4'-P energy: -106.396 tors. eta vs tors. theta energy: -187.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -2374.626711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.626711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.626711 (E_RNA) where: Base-Base interactions energy: -1615.231 where: short stacking energy: -674.927 Base-Backbone interact. energy: -2.044 local terms energy: -757.351943 where: bonds (distance) C4'-P energy: -145.940 bonds (distance) P-C4' energy: -152.794 flat angles C4'-P-C4' energy: -165.255 flat angles P-C4'-P energy: -110.169 tors. eta vs tors. theta energy: -183.194 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: 173 Temperature: 1.200000 Total energy: -2184.514100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.514100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.514100 (E_RNA) where: Base-Base interactions energy: -1508.560 where: short stacking energy: -651.696 Base-Backbone interact. energy: -0.507 local terms energy: -675.446948 where: bonds (distance) C4'-P energy: -116.227 bonds (distance) P-C4' energy: -145.860 flat angles C4'-P-C4' energy: -157.479 flat angles P-C4'-P energy: -90.278 tors. eta vs tors. theta energy: -165.603 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: 8, replica: 2 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1856.224837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.224837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.224837 (E_RNA) where: Base-Base interactions energy: -1214.217 where: short stacking energy: -530.991 Base-Backbone interact. energy: 0.164 local terms energy: -642.172555 where: bonds (distance) C4'-P energy: -147.621 bonds (distance) P-C4' energy: -146.788 flat angles C4'-P-C4' energy: -132.890 flat angles P-C4'-P energy: -94.963 tors. eta vs tors. theta energy: -119.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -1380.301871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.301871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.301871 (E_RNA) where: Base-Base interactions energy: -838.224 where: short stacking energy: -383.869 Base-Backbone interact. energy: -1.522 local terms energy: -540.556698 where: bonds (distance) C4'-P energy: -132.642 bonds (distance) P-C4' energy: -144.463 flat angles C4'-P-C4' energy: -127.222 flat angles P-C4'-P energy: -73.464 tors. eta vs tors. theta energy: -62.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -973.394242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.394242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.394242 (E_RNA) where: Base-Base interactions energy: -523.334 where: short stacking energy: -274.242 Base-Backbone interact. energy: 3.923 local terms energy: -453.982975 where: bonds (distance) C4'-P energy: -142.380 bonds (distance) P-C4' energy: -134.641 flat angles C4'-P-C4' energy: -126.812 flat angles P-C4'-P energy: -58.628 tors. eta vs tors. theta energy: 8.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -3102.900945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.900945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.900945 (E_RNA) where: Base-Base interactions energy: -2232.533 where: short stacking energy: -885.630 Base-Backbone interact. energy: -2.688 local terms energy: -867.679942 where: bonds (distance) C4'-P energy: -148.604 bonds (distance) P-C4' energy: -168.397 flat angles C4'-P-C4' energy: -177.034 flat angles P-C4'-P energy: -130.416 tors. eta vs tors. theta energy: -243.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2796.732002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.732002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.732002 (E_RNA) where: Base-Base interactions energy: -1938.475 where: short stacking energy: -822.764 Base-Backbone interact. energy: -5.483 local terms energy: -852.774330 where: bonds (distance) C4'-P energy: -163.968 bonds (distance) P-C4' energy: -155.516 flat angles C4'-P-C4' energy: -170.474 flat angles P-C4'-P energy: -130.223 tors. eta vs tors. theta energy: -232.594 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: 3, replica: 4 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2657.727372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.727372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.727372 (E_RNA) where: Base-Base interactions energy: -1866.335 where: short stacking energy: -794.865 Base-Backbone interact. energy: -4.370 local terms energy: -787.022321 where: bonds (distance) C4'-P energy: -137.644 bonds (distance) P-C4' energy: -156.187 flat angles C4'-P-C4' energy: -177.169 flat angles P-C4'-P energy: -103.310 tors. eta vs tors. theta energy: -212.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2619.513519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.513519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.513519 (E_RNA) where: Base-Base interactions energy: -1844.094 where: short stacking energy: -773.695 Base-Backbone interact. energy: 0.933 local terms energy: -776.352367 where: bonds (distance) C4'-P energy: -146.461 bonds (distance) P-C4' energy: -146.870 flat angles C4'-P-C4' energy: -168.504 flat angles P-C4'-P energy: -110.769 tors. eta vs tors. theta energy: -203.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2451.392215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.392215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.392215 (E_RNA) where: Base-Base interactions energy: -1692.651 where: short stacking energy: -710.127 Base-Backbone interact. energy: 0.711 local terms energy: -759.452917 where: bonds (distance) C4'-P energy: -132.336 bonds (distance) P-C4' energy: -144.504 flat angles C4'-P-C4' energy: -174.050 flat angles P-C4'-P energy: -109.507 tors. eta vs tors. theta energy: -199.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -2311.979116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.979116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.979116 (E_RNA) where: Base-Base interactions energy: -1557.072 where: short stacking energy: -657.007 Base-Backbone interact. energy: -3.651 local terms energy: -751.256444 where: bonds (distance) C4'-P energy: -133.256 bonds (distance) P-C4' energy: -156.527 flat angles C4'-P-C4' energy: -161.871 flat angles P-C4'-P energy: -108.306 tors. eta vs tors. theta energy: -191.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -2181.950259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.950259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.950259 (E_RNA) where: Base-Base interactions energy: -1490.651 where: short stacking energy: -644.044 Base-Backbone interact. energy: -3.472 local terms energy: -687.827925 where: bonds (distance) C4'-P energy: -126.374 bonds (distance) P-C4' energy: -140.204 flat angles C4'-P-C4' energy: -169.499 flat angles P-C4'-P energy: -89.245 tors. eta vs tors. theta energy: -162.506 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: 174 Temperature: 1.250000 Total energy: -1848.153566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.153566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.153566 (E_RNA) where: Base-Base interactions energy: -1232.483 where: short stacking energy: -540.471 Base-Backbone interact. energy: -1.124 local terms energy: -614.547106 where: bonds (distance) C4'-P energy: -125.393 bonds (distance) P-C4' energy: -143.800 flat angles C4'-P-C4' energy: -133.275 flat angles P-C4'-P energy: -101.928 tors. eta vs tors. theta energy: -110.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -1401.677732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.677732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.677732 (E_RNA) where: Base-Base interactions energy: -861.826 where: short stacking energy: -389.692 Base-Backbone interact. energy: 1.753 local terms energy: -541.605022 where: bonds (distance) C4'-P energy: -141.973 bonds (distance) P-C4' energy: -135.138 flat angles C4'-P-C4' energy: -136.959 flat angles P-C4'-P energy: -60.235 tors. eta vs tors. theta energy: -67.301 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: 10, replica: 10 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -910.723265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.723265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.723265 (E_RNA) where: Base-Base interactions energy: -445.771 where: short stacking energy: -259.089 Base-Backbone interact. energy: -1.597 local terms energy: -463.355122 where: bonds (distance) C4'-P energy: -121.092 bonds (distance) P-C4' energy: -141.578 flat angles C4'-P-C4' energy: -122.351 flat angles P-C4'-P energy: -81.162 tors. eta vs tors. theta energy: 2.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -3066.988056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.988056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.988056 (E_RNA) where: Base-Base interactions energy: -2201.730 where: short stacking energy: -860.598 Base-Backbone interact. energy: -5.000 local terms energy: -860.257984 where: bonds (distance) C4'-P energy: -142.569 bonds (distance) P-C4' energy: -178.718 flat angles C4'-P-C4' energy: -181.043 flat angles P-C4'-P energy: -123.115 tors. eta vs tors. theta energy: -234.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2810.795326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.795326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.795326 (E_RNA) where: Base-Base interactions energy: -1957.272 where: short stacking energy: -827.364 Base-Backbone interact. energy: -4.696 local terms energy: -848.827196 where: bonds (distance) C4'-P energy: -150.700 bonds (distance) P-C4' energy: -173.446 flat angles C4'-P-C4' energy: -166.594 flat angles P-C4'-P energy: -117.429 tors. eta vs tors. theta energy: -240.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2672.713095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.713095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.713095 (E_RNA) where: Base-Base interactions energy: -1853.675 where: short stacking energy: -764.227 Base-Backbone interact. energy: -8.017 local terms energy: -811.020785 where: bonds (distance) C4'-P energy: -136.094 bonds (distance) P-C4' energy: -162.109 flat angles C4'-P-C4' energy: -180.957 flat angles P-C4'-P energy: -122.098 tors. eta vs tors. theta energy: -209.763 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: 5 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2643.748434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.748434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.748434 (E_RNA) where: Base-Base interactions energy: -1867.666 where: short stacking energy: -772.127 Base-Backbone interact. energy: -5.072 local terms energy: -771.009946 where: bonds (distance) C4'-P energy: -150.184 bonds (distance) P-C4' energy: -134.713 flat angles C4'-P-C4' energy: -180.497 flat angles P-C4'-P energy: -101.424 tors. eta vs tors. theta energy: -204.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2463.445230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.445230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.445230 (E_RNA) where: Base-Base interactions energy: -1680.524 where: short stacking energy: -730.342 Base-Backbone interact. energy: -4.782 local terms energy: -778.139205 where: bonds (distance) C4'-P energy: -154.696 bonds (distance) P-C4' energy: -163.377 flat angles C4'-P-C4' energy: -162.751 flat angles P-C4'-P energy: -98.362 tors. eta vs tors. theta energy: -198.953 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: 8 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -2346.406404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.406404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.406404 (E_RNA) where: Base-Base interactions energy: -1626.990 where: short stacking energy: -675.147 Base-Backbone interact. energy: 1.647 local terms energy: -721.062870 where: bonds (distance) C4'-P energy: -131.978 bonds (distance) P-C4' energy: -154.238 flat angles C4'-P-C4' energy: -144.289 flat angles P-C4'-P energy: -104.809 tors. eta vs tors. theta energy: -185.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -2182.017735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.017735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.017735 (E_RNA) where: Base-Base interactions energy: -1483.716 where: short stacking energy: -640.064 Base-Backbone interact. energy: -2.487 local terms energy: -695.814641 where: bonds (distance) C4'-P energy: -137.812 bonds (distance) P-C4' energy: -140.457 flat angles C4'-P-C4' energy: -142.525 flat angles P-C4'-P energy: -100.612 tors. eta vs tors. theta energy: -174.410 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: 8, replica: 2 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1852.697590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.697590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.697590 (E_RNA) where: Base-Base interactions energy: -1244.304 where: short stacking energy: -533.150 Base-Backbone interact. energy: 2.785 local terms energy: -611.178750 where: bonds (distance) C4'-P energy: -126.919 bonds (distance) P-C4' energy: -147.143 flat angles C4'-P-C4' energy: -142.512 flat angles P-C4'-P energy: -85.868 tors. eta vs tors. theta energy: -108.737 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: 175 Temperature: 1.300000 Total energy: -1394.404944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.404944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.404944 (E_RNA) where: Base-Base interactions energy: -862.266 where: short stacking energy: -406.954 Base-Backbone interact. energy: 3.012 local terms energy: -536.012741 where: bonds (distance) C4'-P energy: -125.895 bonds (distance) P-C4' energy: -136.933 flat angles C4'-P-C4' energy: -127.942 flat angles P-C4'-P energy: -82.491 tors. eta vs tors. theta energy: -62.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.862 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -893.393953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.393953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.393953 (E_RNA) where: Base-Base interactions energy: -468.095 where: short stacking energy: -242.793 Base-Backbone interact. energy: 1.291 local terms energy: -426.590009 where: bonds (distance) C4'-P energy: -112.043 bonds (distance) P-C4' energy: -135.511 flat angles C4'-P-C4' energy: -101.163 flat angles P-C4'-P energy: -77.423 tors. eta vs tors. theta energy: -0.451 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: 176 Temperature: 0.900000 Total energy: -3078.999304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.999304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.999304 (E_RNA) where: Base-Base interactions energy: -2185.509 where: short stacking energy: -837.456 Base-Backbone interact. energy: 0.741 local terms energy: -894.230842 where: bonds (distance) C4'-P energy: -180.786 bonds (distance) P-C4' energy: -163.504 flat angles C4'-P-C4' energy: -183.718 flat angles P-C4'-P energy: -126.567 tors. eta vs tors. theta energy: -239.656 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: 1 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2850.397132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.397132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.397132 (E_RNA) where: Base-Base interactions energy: -2006.282 where: short stacking energy: -822.875 Base-Backbone interact. energy: -0.387 local terms energy: -843.728324 where: bonds (distance) C4'-P energy: -157.601 bonds (distance) P-C4' energy: -181.534 flat angles C4'-P-C4' energy: -170.280 flat angles P-C4'-P energy: -115.831 tors. eta vs tors. theta energy: -218.483 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: 5 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2699.486788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.486788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.486788 (E_RNA) where: Base-Base interactions energy: -1887.589 where: short stacking energy: -779.547 Base-Backbone interact. energy: 1.832 local terms energy: -813.729599 where: bonds (distance) C4'-P energy: -137.656 bonds (distance) P-C4' energy: -170.588 flat angles C4'-P-C4' energy: -174.354 flat angles P-C4'-P energy: -116.351 tors. eta vs tors. theta energy: -214.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2588.159597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.159597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.159597 (E_RNA) where: Base-Base interactions energy: -1795.352 where: short stacking energy: -733.066 Base-Backbone interact. energy: -5.354 local terms energy: -787.452709 where: bonds (distance) C4'-P energy: -148.739 bonds (distance) P-C4' energy: -152.862 flat angles C4'-P-C4' energy: -176.937 flat angles P-C4'-P energy: -118.257 tors. eta vs tors. theta energy: -190.658 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: 7 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2449.769612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.769612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.769612 (E_RNA) where: Base-Base interactions energy: -1674.768 where: short stacking energy: -734.154 Base-Backbone interact. energy: -3.211 local terms energy: -771.790795 where: bonds (distance) C4'-P energy: -140.738 bonds (distance) P-C4' energy: -168.811 flat angles C4'-P-C4' energy: -152.206 flat angles P-C4'-P energy: -109.647 tors. eta vs tors. theta energy: -200.389 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: 6, replica: 8 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -2382.024350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.024350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.024350 (E_RNA) where: Base-Base interactions energy: -1625.151 where: short stacking energy: -694.196 Base-Backbone interact. energy: -3.040 local terms energy: -753.834049 where: bonds (distance) C4'-P energy: -139.053 bonds (distance) P-C4' energy: -145.647 flat angles C4'-P-C4' energy: -162.093 flat angles P-C4'-P energy: -116.783 tors. eta vs tors. theta energy: -190.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -2196.221575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.221575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.221575 (E_RNA) where: Base-Base interactions energy: -1545.147 where: short stacking energy: -628.718 Base-Backbone interact. energy: 2.735 local terms energy: -653.809887 where: bonds (distance) C4'-P energy: -112.716 bonds (distance) P-C4' energy: -151.758 flat angles C4'-P-C4' energy: -145.658 flat angles P-C4'-P energy: -83.088 tors. eta vs tors. theta energy: -160.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1784.077506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.077506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.077506 (E_RNA) where: Base-Base interactions energy: -1207.225 where: short stacking energy: -516.000 Base-Backbone interact. energy: -0.700 local terms energy: -576.152951 where: bonds (distance) C4'-P energy: -126.695 bonds (distance) P-C4' energy: -127.303 flat angles C4'-P-C4' energy: -130.915 flat angles P-C4'-P energy: -84.382 tors. eta vs tors. theta energy: -106.859 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: 176 Temperature: 1.300000 Total energy: -1464.612640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.612640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.612640 (E_RNA) where: Base-Base interactions energy: -927.135 where: short stacking energy: -427.121 Base-Backbone interact. energy: 0.771 local terms energy: -538.249285 where: bonds (distance) C4'-P energy: -126.603 bonds (distance) P-C4' energy: -126.623 flat angles C4'-P-C4' energy: -133.224 flat angles P-C4'-P energy: -89.374 tors. eta vs tors. theta energy: -62.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -878.634063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.634063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.634063 (E_RNA) where: Base-Base interactions energy: -411.582 where: short stacking energy: -230.057 Base-Backbone interact. energy: 0.532 local terms energy: -467.583845 where: bonds (distance) C4'-P energy: -119.789 bonds (distance) P-C4' energy: -137.024 flat angles C4'-P-C4' energy: -125.492 flat angles P-C4'-P energy: -93.461 tors. eta vs tors. theta energy: 8.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -3070.485526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.485526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.485526 (E_RNA) where: Base-Base interactions energy: -2174.510 where: short stacking energy: -867.067 Base-Backbone interact. energy: -4.321 local terms energy: -891.655199 where: bonds (distance) C4'-P energy: -135.044 bonds (distance) P-C4' energy: -181.215 flat angles C4'-P-C4' energy: -187.363 flat angles P-C4'-P energy: -143.091 tors. eta vs tors. theta energy: -244.943 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: 1 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2796.988936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.988936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.988936 (E_RNA) where: Base-Base interactions energy: -1929.636 where: short stacking energy: -819.084 Base-Backbone interact. energy: -6.615 local terms energy: -860.737934 where: bonds (distance) C4'-P energy: -150.907 bonds (distance) P-C4' energy: -171.365 flat angles C4'-P-C4' energy: -186.374 flat angles P-C4'-P energy: -121.364 tors. eta vs tors. theta energy: -230.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2741.796503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.796503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.796503 (E_RNA) where: Base-Base interactions energy: -1909.035 where: short stacking energy: -793.073 Base-Backbone interact. energy: -4.069 local terms energy: -828.692927 where: bonds (distance) C4'-P energy: -134.355 bonds (distance) P-C4' energy: -172.508 flat angles C4'-P-C4' energy: -180.797 flat angles P-C4'-P energy: -117.320 tors. eta vs tors. theta energy: -223.712 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: 4, replica: 4 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2565.826457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.826457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.826457 (E_RNA) where: Base-Base interactions energy: -1787.959 where: short stacking energy: -747.868 Base-Backbone interact. energy: -9.329 local terms energy: -768.538686 where: bonds (distance) C4'-P energy: -147.594 bonds (distance) P-C4' energy: -149.125 flat angles C4'-P-C4' energy: -178.826 flat angles P-C4'-P energy: -106.778 tors. eta vs tors. theta energy: -186.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -2397.345973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.345973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.345973 (E_RNA) where: Base-Base interactions energy: -1642.367 where: short stacking energy: -679.643 Base-Backbone interact. energy: -0.993 local terms energy: -753.985683 where: bonds (distance) C4'-P energy: -137.224 bonds (distance) P-C4' energy: -153.609 flat angles C4'-P-C4' energy: -174.431 flat angles P-C4'-P energy: -117.411 tors. eta vs tors. theta energy: -171.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -2377.732874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.732874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.732874 (E_RNA) where: Base-Base interactions energy: -1633.780 where: short stacking energy: -717.328 Base-Backbone interact. energy: -0.571 local terms energy: -743.381824 where: bonds (distance) C4'-P energy: -129.656 bonds (distance) P-C4' energy: -133.950 flat angles C4'-P-C4' energy: -162.666 flat angles P-C4'-P energy: -113.092 tors. eta vs tors. theta energy: -204.018 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: 177 Temperature: 1.200000 Total energy: -2196.199793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.199793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.199793 (E_RNA) where: Base-Base interactions energy: -1507.313 where: short stacking energy: -645.683 Base-Backbone interact. energy: -2.059 local terms energy: -686.827530 where: bonds (distance) C4'-P energy: -143.318 bonds (distance) P-C4' energy: -132.368 flat angles C4'-P-C4' energy: -148.387 flat angles P-C4'-P energy: -101.176 tors. eta vs tors. theta energy: -161.579 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: 2 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1765.808491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.808491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.808491 (E_RNA) where: Base-Base interactions energy: -1152.297 where: short stacking energy: -515.275 Base-Backbone interact. energy: -1.417 local terms energy: -612.094108 where: bonds (distance) C4'-P energy: -128.714 bonds (distance) P-C4' energy: -139.310 flat angles C4'-P-C4' energy: -147.785 flat angles P-C4'-P energy: -92.833 tors. eta vs tors. theta energy: -103.453 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: 177 Temperature: 1.300000 Total energy: -1396.896980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.896980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.896980 (E_RNA) where: Base-Base interactions energy: -850.087 where: short stacking energy: -419.410 Base-Backbone interact. energy: 4.015 local terms energy: -550.824731 where: bonds (distance) C4'-P energy: -136.395 bonds (distance) P-C4' energy: -127.438 flat angles C4'-P-C4' energy: -129.235 flat angles P-C4'-P energy: -87.679 tors. eta vs tors. theta energy: -70.078 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: 10, replica: 10 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -931.828442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.828442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.828442 (E_RNA) where: Base-Base interactions energy: -468.893 where: short stacking energy: -254.985 Base-Backbone interact. energy: -3.697 local terms energy: -459.238580 where: bonds (distance) C4'-P energy: -110.871 bonds (distance) P-C4' energy: -134.924 flat angles C4'-P-C4' energy: -126.060 flat angles P-C4'-P energy: -85.089 tors. eta vs tors. theta energy: -2.293 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: 3 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -3079.417554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.417554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.417554 (E_RNA) where: Base-Base interactions energy: -2196.179 where: short stacking energy: -876.928 Base-Backbone interact. energy: -4.100 local terms energy: -879.139369 where: bonds (distance) C4'-P energy: -157.666 bonds (distance) P-C4' energy: -181.400 flat angles C4'-P-C4' energy: -183.837 flat angles P-C4'-P energy: -125.068 tors. eta vs tors. theta energy: -231.169 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: 178 Temperature: 0.950000 Total energy: -2774.185095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.185095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.185095 (E_RNA) where: Base-Base interactions energy: -1921.244 where: short stacking energy: -827.308 Base-Backbone interact. energy: -7.819 local terms energy: -845.122064 where: bonds (distance) C4'-P energy: -139.685 bonds (distance) P-C4' energy: -164.651 flat angles C4'-P-C4' energy: -185.488 flat angles P-C4'-P energy: -119.283 tors. eta vs tors. theta energy: -236.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2669.175141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.175141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.175141 (E_RNA) where: Base-Base interactions energy: -1856.887 where: short stacking energy: -771.226 Base-Backbone interact. energy: -2.569 local terms energy: -809.719210 where: bonds (distance) C4'-P energy: -157.799 bonds (distance) P-C4' energy: -162.650 flat angles C4'-P-C4' energy: -176.535 flat angles P-C4'-P energy: -118.537 tors. eta vs tors. theta energy: -194.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2526.303921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.303921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.303921 (E_RNA) where: Base-Base interactions energy: -1738.063 where: short stacking energy: -747.921 Base-Backbone interact. energy: 0.322 local terms energy: -788.562247 where: bonds (distance) C4'-P energy: -145.247 bonds (distance) P-C4' energy: -166.524 flat angles C4'-P-C4' energy: -167.885 flat angles P-C4'-P energy: -112.746 tors. eta vs tors. theta energy: -196.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2447.872712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.872712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.872712 (E_RNA) where: Base-Base interactions energy: -1670.408 where: short stacking energy: -711.522 Base-Backbone interact. energy: 1.984 local terms energy: -779.449214 where: bonds (distance) C4'-P energy: -147.377 bonds (distance) P-C4' energy: -169.677 flat angles C4'-P-C4' energy: -156.612 flat angles P-C4'-P energy: -104.465 tors. eta vs tors. theta energy: -201.319 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: 7 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -2352.969847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.969847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.969847 (E_RNA) where: Base-Base interactions energy: -1593.133 where: short stacking energy: -687.625 Base-Backbone interact. energy: -4.398 local terms energy: -755.438817 where: bonds (distance) C4'-P energy: -147.237 bonds (distance) P-C4' energy: -161.120 flat angles C4'-P-C4' energy: -148.885 flat angles P-C4'-P energy: -112.790 tors. eta vs tors. theta energy: -185.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -2176.372887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.372887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.372887 (E_RNA) where: Base-Base interactions energy: -1480.365 where: short stacking energy: -602.604 Base-Backbone interact. energy: -6.353 local terms energy: -689.654469 where: bonds (distance) C4'-P energy: -125.934 bonds (distance) P-C4' energy: -141.263 flat angles C4'-P-C4' energy: -149.648 flat angles P-C4'-P energy: -98.138 tors. eta vs tors. theta energy: -174.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1832.395284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.395284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.395284 (E_RNA) where: Base-Base interactions energy: -1214.671 where: short stacking energy: -513.666 Base-Backbone interact. energy: -4.758 local terms energy: -612.966083 where: bonds (distance) C4'-P energy: -114.514 bonds (distance) P-C4' energy: -157.218 flat angles C4'-P-C4' energy: -152.903 flat angles P-C4'-P energy: -77.138 tors. eta vs tors. theta energy: -111.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1419.075089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.075089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.075089 (E_RNA) where: Base-Base interactions energy: -890.420 where: short stacking energy: -431.281 Base-Backbone interact. energy: 0.957 local terms energy: -529.611398 where: bonds (distance) C4'-P energy: -129.998 bonds (distance) P-C4' energy: -118.991 flat angles C4'-P-C4' energy: -121.065 flat angles P-C4'-P energy: -104.430 tors. eta vs tors. theta energy: -55.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -911.440687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.440687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.440687 (E_RNA) where: Base-Base interactions energy: -461.697 where: short stacking energy: -255.259 Base-Backbone interact. energy: -0.041 local terms energy: -449.701836 where: bonds (distance) C4'-P energy: -120.484 bonds (distance) P-C4' energy: -151.561 flat angles C4'-P-C4' energy: -98.714 flat angles P-C4'-P energy: -86.895 tors. eta vs tors. theta energy: 7.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -3080.486138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.486138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.486138 (E_RNA) where: Base-Base interactions energy: -2175.203 where: short stacking energy: -860.117 Base-Backbone interact. energy: -2.412 local terms energy: -902.871909 where: bonds (distance) C4'-P energy: -175.867 bonds (distance) P-C4' energy: -171.791 flat angles C4'-P-C4' energy: -188.877 flat angles P-C4'-P energy: -125.466 tors. eta vs tors. theta energy: -240.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2819.484935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.484935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.484935 (E_RNA) where: Base-Base interactions energy: -1962.186 where: short stacking energy: -831.742 Base-Backbone interact. energy: -4.345 local terms energy: -852.954199 where: bonds (distance) C4'-P energy: -151.904 bonds (distance) P-C4' energy: -167.517 flat angles C4'-P-C4' energy: -181.260 flat angles P-C4'-P energy: -132.068 tors. eta vs tors. theta energy: -220.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2663.052236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.052236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.052236 (E_RNA) where: Base-Base interactions energy: -1859.434 where: short stacking energy: -774.392 Base-Backbone interact. energy: -0.945 local terms energy: -802.672792 where: bonds (distance) C4'-P energy: -162.925 bonds (distance) P-C4' energy: -143.543 flat angles C4'-P-C4' energy: -183.052 flat angles P-C4'-P energy: -102.131 tors. eta vs tors. theta energy: -211.021 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: 4 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2554.522666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.522666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.522666 (E_RNA) where: Base-Base interactions energy: -1805.218 where: short stacking energy: -738.806 Base-Backbone interact. energy: -1.595 local terms energy: -747.709539 where: bonds (distance) C4'-P energy: -135.606 bonds (distance) P-C4' energy: -140.165 flat angles C4'-P-C4' energy: -156.864 flat angles P-C4'-P energy: -119.572 tors. eta vs tors. theta energy: -195.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2447.479505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.479505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.479505 (E_RNA) where: Base-Base interactions energy: -1653.855 where: short stacking energy: -698.454 Base-Backbone interact. energy: -1.112 local terms energy: -793.242855 where: bonds (distance) C4'-P energy: -158.397 bonds (distance) P-C4' energy: -161.506 flat angles C4'-P-C4' energy: -168.451 flat angles P-C4'-P energy: -118.714 tors. eta vs tors. theta energy: -186.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.730 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -2348.054739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.054739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.054739 (E_RNA) where: Base-Base interactions energy: -1629.824 where: short stacking energy: -668.141 Base-Backbone interact. energy: 6.714 local terms energy: -724.944926 where: bonds (distance) C4'-P energy: -157.482 bonds (distance) P-C4' energy: -131.253 flat angles C4'-P-C4' energy: -161.606 flat angles P-C4'-P energy: -96.657 tors. eta vs tors. theta energy: -177.947 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: 179 Temperature: 1.200000 Total energy: -2113.115821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.115821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.115821 (E_RNA) where: Base-Base interactions energy: -1423.257 where: short stacking energy: -612.912 Base-Backbone interact. energy: -2.753 local terms energy: -687.105718 where: bonds (distance) C4'-P energy: -127.578 bonds (distance) P-C4' energy: -124.374 flat angles C4'-P-C4' energy: -173.762 flat angles P-C4'-P energy: -109.167 tors. eta vs tors. theta energy: -152.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1799.784691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.784691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.784691 (E_RNA) where: Base-Base interactions energy: -1172.125 where: short stacking energy: -495.457 Base-Backbone interact. energy: -1.744 local terms energy: -625.915207 where: bonds (distance) C4'-P energy: -145.374 bonds (distance) P-C4' energy: -137.250 flat angles C4'-P-C4' energy: -150.293 flat angles P-C4'-P energy: -92.967 tors. eta vs tors. theta energy: -100.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1373.433719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.433719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.433719 (E_RNA) where: Base-Base interactions energy: -830.498 where: short stacking energy: -385.925 Base-Backbone interact. energy: 2.207 local terms energy: -545.142348 where: bonds (distance) C4'-P energy: -118.399 bonds (distance) P-C4' energy: -150.469 flat angles C4'-P-C4' energy: -129.737 flat angles P-C4'-P energy: -90.247 tors. eta vs tors. theta energy: -56.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -848.954640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.954640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.954640 (E_RNA) where: Base-Base interactions energy: -399.324 where: short stacking energy: -238.345 Base-Backbone interact. energy: -0.600 local terms energy: -449.030300 where: bonds (distance) C4'-P energy: -127.954 bonds (distance) P-C4' energy: -126.949 flat angles C4'-P-C4' energy: -121.621 flat angles P-C4'-P energy: -68.104 tors. eta vs tors. theta energy: -4.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -3095.598172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.598172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.598172 (E_RNA) where: Base-Base interactions energy: -2198.193 where: short stacking energy: -877.352 Base-Backbone interact. energy: -8.446 local terms energy: -888.959657 where: bonds (distance) C4'-P energy: -157.415 bonds (distance) P-C4' energy: -177.851 flat angles C4'-P-C4' energy: -186.647 flat angles P-C4'-P energy: -126.453 tors. eta vs tors. theta energy: -240.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2820.623359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.623359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.623359 (E_RNA) where: Base-Base interactions energy: -1945.771 where: short stacking energy: -848.066 Base-Backbone interact. energy: -2.310 local terms energy: -872.543275 where: bonds (distance) C4'-P energy: -154.231 bonds (distance) P-C4' energy: -178.444 flat angles C4'-P-C4' energy: -181.459 flat angles P-C4'-P energy: -122.592 tors. eta vs tors. theta energy: -235.818 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: 5 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2728.856658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.856658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.856658 (E_RNA) where: Base-Base interactions energy: -1890.533 where: short stacking energy: -796.094 Base-Backbone interact. energy: 0.429 local terms energy: -838.752385 where: bonds (distance) C4'-P energy: -162.632 bonds (distance) P-C4' energy: -157.106 flat angles C4'-P-C4' energy: -167.778 flat angles P-C4'-P energy: -132.866 tors. eta vs tors. theta energy: -218.370 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: 4 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2571.666440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.666440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.666440 (E_RNA) where: Base-Base interactions energy: -1795.327 where: short stacking energy: -724.770 Base-Backbone interact. energy: -3.089 local terms energy: -773.250071 where: bonds (distance) C4'-P energy: -145.633 bonds (distance) P-C4' energy: -148.946 flat angles C4'-P-C4' energy: -156.108 flat angles P-C4'-P energy: -121.000 tors. eta vs tors. theta energy: -201.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2421.651355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.651355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.651355 (E_RNA) where: Base-Base interactions energy: -1678.634 where: short stacking energy: -704.815 Base-Backbone interact. energy: 0.864 local terms energy: -743.881506 where: bonds (distance) C4'-P energy: -151.094 bonds (distance) P-C4' energy: -145.425 flat angles C4'-P-C4' energy: -153.623 flat angles P-C4'-P energy: -117.515 tors. eta vs tors. theta energy: -176.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -2297.324075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.324075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.324075 (E_RNA) where: Base-Base interactions energy: -1605.018 where: short stacking energy: -668.170 Base-Backbone interact. energy: -1.915 local terms energy: -690.391142 where: bonds (distance) C4'-P energy: -149.697 bonds (distance) P-C4' energy: -133.152 flat angles C4'-P-C4' energy: -141.257 flat angles P-C4'-P energy: -99.323 tors. eta vs tors. theta energy: -166.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -2027.979842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.979842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.979842 (E_RNA) where: Base-Base interactions energy: -1363.941 where: short stacking energy: -552.244 Base-Backbone interact. energy: 0.905 local terms energy: -664.944297 where: bonds (distance) C4'-P energy: -121.432 bonds (distance) P-C4' energy: -148.026 flat angles C4'-P-C4' energy: -166.335 flat angles P-C4'-P energy: -100.664 tors. eta vs tors. theta energy: -128.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1884.881445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.881445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.881445 (E_RNA) where: Base-Base interactions energy: -1237.317 where: short stacking energy: -522.669 Base-Backbone interact. energy: -1.907 local terms energy: -645.656943 where: bonds (distance) C4'-P energy: -124.631 bonds (distance) P-C4' energy: -148.144 flat angles C4'-P-C4' energy: -166.298 flat angles P-C4'-P energy: -101.427 tors. eta vs tors. theta energy: -105.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1355.583949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.583949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.583949 (E_RNA) where: Base-Base interactions energy: -841.871 where: short stacking energy: -404.009 Base-Backbone interact. energy: 0.175 local terms energy: -513.887557 where: bonds (distance) C4'-P energy: -134.698 bonds (distance) P-C4' energy: -160.873 flat angles C4'-P-C4' energy: -107.162 flat angles P-C4'-P energy: -76.664 tors. eta vs tors. theta energy: -34.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -845.396886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.396886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.396886 (E_RNA) where: Base-Base interactions energy: -455.232 where: short stacking energy: -243.108 Base-Backbone interact. energy: 10.370 local terms energy: -400.534686 where: bonds (distance) C4'-P energy: -114.412 bonds (distance) P-C4' energy: -124.445 flat angles C4'-P-C4' energy: -90.912 flat angles P-C4'-P energy: -79.673 tors. eta vs tors. theta energy: 8.907 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: 1, replica: 3 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -3071.678965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.678965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.678965 (E_RNA) where: Base-Base interactions energy: -2195.602 where: short stacking energy: -865.290 Base-Backbone interact. energy: 2.885 local terms energy: -878.961584 where: bonds (distance) C4'-P energy: -162.762 bonds (distance) P-C4' energy: -172.498 flat angles C4'-P-C4' energy: -180.575 flat angles P-C4'-P energy: -118.455 tors. eta vs tors. theta energy: -244.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2792.045210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.045210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.045210 (E_RNA) where: Base-Base interactions energy: -1945.175 where: short stacking energy: -820.577 Base-Backbone interact. energy: -4.691 local terms energy: -842.178797 where: bonds (distance) C4'-P energy: -146.872 bonds (distance) P-C4' energy: -173.356 flat angles C4'-P-C4' energy: -168.065 flat angles P-C4'-P energy: -127.135 tors. eta vs tors. theta energy: -226.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2704.962528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.962528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.962528 (E_RNA) where: Base-Base interactions energy: -1861.471 where: short stacking energy: -789.875 Base-Backbone interact. energy: -2.679 local terms energy: -840.812560 where: bonds (distance) C4'-P energy: -153.896 bonds (distance) P-C4' energy: -163.148 flat angles C4'-P-C4' energy: -179.132 flat angles P-C4'-P energy: -121.625 tors. eta vs tors. theta energy: -223.012 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: 4 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2610.648917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.648917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.648917 (E_RNA) where: Base-Base interactions energy: -1797.986 where: short stacking energy: -744.321 Base-Backbone interact. energy: 0.552 local terms energy: -813.214896 where: bonds (distance) C4'-P energy: -144.572 bonds (distance) P-C4' energy: -163.408 flat angles C4'-P-C4' energy: -174.222 flat angles P-C4'-P energy: -110.120 tors. eta vs tors. theta energy: -220.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2398.618472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.618472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.618472 (E_RNA) where: Base-Base interactions energy: -1641.843 where: short stacking energy: -695.237 Base-Backbone interact. energy: -1.541 local terms energy: -755.234608 where: bonds (distance) C4'-P energy: -140.424 bonds (distance) P-C4' energy: -157.928 flat angles C4'-P-C4' energy: -161.638 flat angles P-C4'-P energy: -113.360 tors. eta vs tors. theta energy: -181.885 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: 7 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -2304.708562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.708562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.708562 (E_RNA) where: Base-Base interactions energy: -1585.089 where: short stacking energy: -666.024 Base-Backbone interact. energy: 0.229 local terms energy: -719.848543 where: bonds (distance) C4'-P energy: -154.316 bonds (distance) P-C4' energy: -153.804 flat angles C4'-P-C4' energy: -150.121 flat angles P-C4'-P energy: -105.214 tors. eta vs tors. theta energy: -156.394 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: 181 Temperature: 1.200000 Total energy: -2024.443699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.443699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.443699 (E_RNA) where: Base-Base interactions energy: -1346.270 where: short stacking energy: -572.139 Base-Backbone interact. energy: -0.152 local terms energy: -678.021403 where: bonds (distance) C4'-P energy: -110.335 bonds (distance) P-C4' energy: -161.977 flat angles C4'-P-C4' energy: -160.239 flat angles P-C4'-P energy: -101.085 tors. eta vs tors. theta energy: -144.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1759.311288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.311288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.311288 (E_RNA) where: Base-Base interactions energy: -1168.884 where: short stacking energy: -510.540 Base-Backbone interact. energy: 0.139 local terms energy: -590.566650 where: bonds (distance) C4'-P energy: -125.522 bonds (distance) P-C4' energy: -124.799 flat angles C4'-P-C4' energy: -124.273 flat angles P-C4'-P energy: -98.971 tors. eta vs tors. theta energy: -117.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1328.113081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.113081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.113081 (E_RNA) where: Base-Base interactions energy: -809.789 where: short stacking energy: -389.225 Base-Backbone interact. energy: -3.407 local terms energy: -516.180977 where: bonds (distance) C4'-P energy: -114.955 bonds (distance) P-C4' energy: -152.808 flat angles C4'-P-C4' energy: -131.743 flat angles P-C4'-P energy: -78.981 tors. eta vs tors. theta energy: -37.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.264 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -851.025615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.025615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.025615 (E_RNA) where: Base-Base interactions energy: -432.957 where: short stacking energy: -243.223 Base-Backbone interact. energy: 2.743 local terms energy: -420.811475 where: bonds (distance) C4'-P energy: -130.816 bonds (distance) P-C4' energy: -159.929 flat angles C4'-P-C4' energy: -94.396 flat angles P-C4'-P energy: -55.120 tors. eta vs tors. theta energy: 19.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -3040.962055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.962055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.962055 (E_RNA) where: Base-Base interactions energy: -2180.552 where: short stacking energy: -846.097 Base-Backbone interact. energy: -5.612 local terms energy: -854.797297 where: bonds (distance) C4'-P energy: -154.157 bonds (distance) P-C4' energy: -161.062 flat angles C4'-P-C4' energy: -174.450 flat angles P-C4'-P energy: -137.522 tors. eta vs tors. theta energy: -227.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2820.273117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.273117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.273117 (E_RNA) where: Base-Base interactions energy: -1993.341 where: short stacking energy: -823.473 Base-Backbone interact. energy: -4.002 local terms energy: -822.930077 where: bonds (distance) C4'-P energy: -157.359 bonds (distance) P-C4' energy: -159.623 flat angles C4'-P-C4' energy: -166.188 flat angles P-C4'-P energy: -117.411 tors. eta vs tors. theta energy: -222.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2679.799926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.799926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.799926 (E_RNA) where: Base-Base interactions energy: -1846.612 where: short stacking energy: -763.609 Base-Backbone interact. energy: -4.482 local terms energy: -828.705443 where: bonds (distance) C4'-P energy: -155.862 bonds (distance) P-C4' energy: -175.508 flat angles C4'-P-C4' energy: -176.231 flat angles P-C4'-P energy: -120.394 tors. eta vs tors. theta energy: -200.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2545.570172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.570172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.570172 (E_RNA) where: Base-Base interactions energy: -1771.178 where: short stacking energy: -736.136 Base-Backbone interact. energy: 9.692 local terms energy: -784.083957 where: bonds (distance) C4'-P energy: -136.500 bonds (distance) P-C4' energy: -156.583 flat angles C4'-P-C4' energy: -184.018 flat angles P-C4'-P energy: -109.404 tors. eta vs tors. theta energy: -197.578 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: 5, replica: 8 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2395.560078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.560078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.560078 (E_RNA) where: Base-Base interactions energy: -1641.509 where: short stacking energy: -703.767 Base-Backbone interact. energy: -4.476 local terms energy: -749.575200 where: bonds (distance) C4'-P energy: -138.710 bonds (distance) P-C4' energy: -133.892 flat angles C4'-P-C4' energy: -176.682 flat angles P-C4'-P energy: -113.511 tors. eta vs tors. theta energy: -186.781 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: 7 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -2305.255316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.255316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.255316 (E_RNA) where: Base-Base interactions energy: -1567.944 where: short stacking energy: -644.011 Base-Backbone interact. energy: -4.134 local terms energy: -733.177354 where: bonds (distance) C4'-P energy: -132.950 bonds (distance) P-C4' energy: -162.915 flat angles C4'-P-C4' energy: -152.114 flat angles P-C4'-P energy: -113.406 tors. eta vs tors. theta energy: -171.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1933.843930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.843930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.843930 (E_RNA) where: Base-Base interactions energy: -1323.966 where: short stacking energy: -596.554 Base-Backbone interact. energy: 4.557 local terms energy: -614.434354 where: bonds (distance) C4'-P energy: -91.638 bonds (distance) P-C4' energy: -153.533 flat angles C4'-P-C4' energy: -142.902 flat angles P-C4'-P energy: -93.268 tors. eta vs tors. theta energy: -133.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1815.123176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.123176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.123176 (E_RNA) where: Base-Base interactions energy: -1182.902 where: short stacking energy: -507.471 Base-Backbone interact. energy: -1.275 local terms energy: -630.945908 where: bonds (distance) C4'-P energy: -144.389 bonds (distance) P-C4' energy: -137.126 flat angles C4'-P-C4' energy: -155.323 flat angles P-C4'-P energy: -80.760 tors. eta vs tors. theta energy: -113.348 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: 182 Temperature: 1.300000 Total energy: -1262.810123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.810123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.810123 (E_RNA) where: Base-Base interactions energy: -752.436 where: short stacking energy: -387.037 Base-Backbone interact. energy: 6.270 local terms energy: -516.643750 where: bonds (distance) C4'-P energy: -124.033 bonds (distance) P-C4' energy: -143.133 flat angles C4'-P-C4' energy: -140.775 flat angles P-C4'-P energy: -66.724 tors. eta vs tors. theta energy: -41.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -867.838647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.838647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.838647 (E_RNA) where: Base-Base interactions energy: -406.819 where: short stacking energy: -225.708 Base-Backbone interact. energy: 4.399 local terms energy: -465.418212 where: bonds (distance) C4'-P energy: -118.461 bonds (distance) P-C4' energy: -161.856 flat angles C4'-P-C4' energy: -130.914 flat angles P-C4'-P energy: -42.856 tors. eta vs tors. theta energy: -11.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -3022.291974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.291974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.291974 (E_RNA) where: Base-Base interactions energy: -2134.012 where: short stacking energy: -854.043 Base-Backbone interact. energy: -1.364 local terms energy: -886.915378 where: bonds (distance) C4'-P energy: -163.727 bonds (distance) P-C4' energy: -174.192 flat angles C4'-P-C4' energy: -189.176 flat angles P-C4'-P energy: -133.859 tors. eta vs tors. theta energy: -225.961 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: 1 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2817.386787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.386787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.386787 (E_RNA) where: Base-Base interactions energy: -1932.444 where: short stacking energy: -822.816 Base-Backbone interact. energy: -3.915 local terms energy: -881.028176 where: bonds (distance) C4'-P energy: -161.569 bonds (distance) P-C4' energy: -180.671 flat angles C4'-P-C4' energy: -188.450 flat angles P-C4'-P energy: -124.737 tors. eta vs tors. theta energy: -225.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2671.327021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.327021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.327021 (E_RNA) where: Base-Base interactions energy: -1848.573 where: short stacking energy: -788.777 Base-Backbone interact. energy: -4.801 local terms energy: -817.952877 where: bonds (distance) C4'-P energy: -152.322 bonds (distance) P-C4' energy: -159.447 flat angles C4'-P-C4' energy: -174.321 flat angles P-C4'-P energy: -123.575 tors. eta vs tors. theta energy: -208.288 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: 4 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2574.602341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.602341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.602341 (E_RNA) where: Base-Base interactions energy: -1807.412 where: short stacking energy: -756.759 Base-Backbone interact. energy: 7.034 local terms energy: -774.224143 where: bonds (distance) C4'-P energy: -143.044 bonds (distance) P-C4' energy: -154.008 flat angles C4'-P-C4' energy: -165.390 flat angles P-C4'-P energy: -112.871 tors. eta vs tors. theta energy: -198.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2407.808824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.808824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.808824 (E_RNA) where: Base-Base interactions energy: -1655.659 where: short stacking energy: -684.665 Base-Backbone interact. energy: -1.956 local terms energy: -750.193096 where: bonds (distance) C4'-P energy: -147.783 bonds (distance) P-C4' energy: -163.340 flat angles C4'-P-C4' energy: -157.262 flat angles P-C4'-P energy: -110.986 tors. eta vs tors. theta energy: -170.822 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: 7 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -2291.478906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.478906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.478906 (E_RNA) where: Base-Base interactions energy: -1579.318 where: short stacking energy: -641.858 Base-Backbone interact. energy: -1.181 local terms energy: -710.980442 where: bonds (distance) C4'-P energy: -121.084 bonds (distance) P-C4' energy: -146.945 flat angles C4'-P-C4' energy: -159.831 flat angles P-C4'-P energy: -107.801 tors. eta vs tors. theta energy: -175.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1891.054592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.054592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.054592 (E_RNA) where: Base-Base interactions energy: -1224.396 where: short stacking energy: -556.960 Base-Backbone interact. energy: 3.237 local terms energy: -669.895720 where: bonds (distance) C4'-P energy: -149.681 bonds (distance) P-C4' energy: -133.877 flat angles C4'-P-C4' energy: -162.888 flat angles P-C4'-P energy: -98.681 tors. eta vs tors. theta energy: -124.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1808.736422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.736422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.736422 (E_RNA) where: Base-Base interactions energy: -1201.620 where: short stacking energy: -531.283 Base-Backbone interact. energy: 0.234 local terms energy: -607.349509 where: bonds (distance) C4'-P energy: -122.166 bonds (distance) P-C4' energy: -150.119 flat angles C4'-P-C4' energy: -143.468 flat angles P-C4'-P energy: -71.122 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: 9, replica: 9 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1313.686348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.686348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.686348 (E_RNA) where: Base-Base interactions energy: -775.720 where: short stacking energy: -376.913 Base-Backbone interact. energy: -2.685 local terms energy: -535.281358 where: bonds (distance) C4'-P energy: -142.763 bonds (distance) P-C4' energy: -147.502 flat angles C4'-P-C4' energy: -137.146 flat angles P-C4'-P energy: -68.155 tors. eta vs tors. theta energy: -39.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -842.149222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.149222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.149222 (E_RNA) where: Base-Base interactions energy: -418.238 where: short stacking energy: -255.080 Base-Backbone interact. energy: -0.342 local terms energy: -423.570015 where: bonds (distance) C4'-P energy: -106.173 bonds (distance) P-C4' energy: -116.106 flat angles C4'-P-C4' energy: -128.487 flat angles P-C4'-P energy: -81.058 tors. eta vs tors. theta energy: 8.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -3044.095868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.095868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.095868 (E_RNA) where: Base-Base interactions energy: -2173.395 where: short stacking energy: -858.214 Base-Backbone interact. energy: -0.534 local terms energy: -870.166739 where: bonds (distance) C4'-P energy: -145.744 bonds (distance) P-C4' energy: -161.511 flat angles C4'-P-C4' energy: -186.495 flat angles P-C4'-P energy: -132.625 tors. eta vs tors. theta energy: -243.792 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: 1 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2821.251412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.251412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.251412 (E_RNA) where: Base-Base interactions energy: -1948.580 where: short stacking energy: -806.009 Base-Backbone interact. energy: -4.789 local terms energy: -867.882721 where: bonds (distance) C4'-P energy: -152.658 bonds (distance) P-C4' energy: -168.129 flat angles C4'-P-C4' energy: -187.369 flat angles P-C4'-P energy: -142.364 tors. eta vs tors. theta energy: -217.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2633.159386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.159386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.159386 (E_RNA) where: Base-Base interactions energy: -1832.522 where: short stacking energy: -787.320 Base-Backbone interact. energy: 0.951 local terms energy: -801.588377 where: bonds (distance) C4'-P energy: -163.586 bonds (distance) P-C4' energy: -164.749 flat angles C4'-P-C4' energy: -163.566 flat angles P-C4'-P energy: -111.464 tors. eta vs tors. theta energy: -198.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2599.144241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.144241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.144241 (E_RNA) where: Base-Base interactions energy: -1801.651 where: short stacking energy: -753.766 Base-Backbone interact. energy: 1.178 local terms energy: -798.671304 where: bonds (distance) C4'-P energy: -149.933 bonds (distance) P-C4' energy: -153.568 flat angles C4'-P-C4' energy: -167.508 flat angles P-C4'-P energy: -121.339 tors. eta vs tors. theta energy: -206.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2425.787844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.787844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.787844 (E_RNA) where: Base-Base interactions energy: -1668.437 where: short stacking energy: -703.750 Base-Backbone interact. energy: 1.240 local terms energy: -758.590872 where: bonds (distance) C4'-P energy: -150.320 bonds (distance) P-C4' energy: -153.901 flat angles C4'-P-C4' energy: -176.924 flat angles P-C4'-P energy: -104.643 tors. eta vs tors. theta energy: -172.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -2342.972379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.972379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.972379 (E_RNA) where: Base-Base interactions energy: -1620.398 where: short stacking energy: -685.168 Base-Backbone interact. energy: -3.723 local terms energy: -718.851313 where: bonds (distance) C4'-P energy: -112.426 bonds (distance) P-C4' energy: -154.453 flat angles C4'-P-C4' energy: -170.728 flat angles P-C4'-P energy: -110.090 tors. eta vs tors. theta energy: -171.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1837.403286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.403286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.403286 (E_RNA) where: Base-Base interactions energy: -1181.421 where: short stacking energy: -543.217 Base-Backbone interact. energy: -0.883 local terms energy: -655.099486 where: bonds (distance) C4'-P energy: -143.428 bonds (distance) P-C4' energy: -134.859 flat angles C4'-P-C4' energy: -160.635 flat angles P-C4'-P energy: -94.926 tors. eta vs tors. theta energy: -121.252 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: 8, replica: 2 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1853.491514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.491514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.491514 (E_RNA) where: Base-Base interactions energy: -1211.284 where: short stacking energy: -512.277 Base-Backbone interact. energy: 2.656 local terms energy: -644.863212 where: bonds (distance) C4'-P energy: -138.251 bonds (distance) P-C4' energy: -140.462 flat angles C4'-P-C4' energy: -157.714 flat angles P-C4'-P energy: -94.746 tors. eta vs tors. theta energy: -113.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1371.199168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.199168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.199168 (E_RNA) where: Base-Base interactions energy: -840.258 where: short stacking energy: -412.223 Base-Backbone interact. energy: -1.096 local terms energy: -529.844829 where: bonds (distance) C4'-P energy: -124.247 bonds (distance) P-C4' energy: -156.146 flat angles C4'-P-C4' energy: -120.908 flat angles P-C4'-P energy: -75.846 tors. eta vs tors. theta energy: -52.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -879.551738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.551738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.551738 (E_RNA) where: Base-Base interactions energy: -477.031 where: short stacking energy: -274.941 Base-Backbone interact. energy: -0.791 local terms energy: -401.729925 where: bonds (distance) C4'-P energy: -118.164 bonds (distance) P-C4' energy: -129.976 flat angles C4'-P-C4' energy: -96.522 flat angles P-C4'-P energy: -54.824 tors. eta vs tors. theta energy: -2.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -3036.661384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.661384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.661384 (E_RNA) where: Base-Base interactions energy: -2162.286 where: short stacking energy: -857.822 Base-Backbone interact. energy: -4.056 local terms energy: -870.318495 where: bonds (distance) C4'-P energy: -162.539 bonds (distance) P-C4' energy: -161.681 flat angles C4'-P-C4' energy: -190.665 flat angles P-C4'-P energy: -118.705 tors. eta vs tors. theta energy: -236.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2802.949451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.949451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.949451 (E_RNA) where: Base-Base interactions energy: -1932.856 where: short stacking energy: -812.701 Base-Backbone interact. energy: -5.417 local terms energy: -864.676262 where: bonds (distance) C4'-P energy: -146.522 bonds (distance) P-C4' energy: -170.980 flat angles C4'-P-C4' energy: -178.846 flat angles P-C4'-P energy: -122.089 tors. eta vs tors. theta energy: -246.239 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: 4 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2654.774292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.774292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.774292 (E_RNA) where: Base-Base interactions energy: -1823.541 where: short stacking energy: -775.292 Base-Backbone interact. energy: 0.323 local terms energy: -831.555622 where: bonds (distance) C4'-P energy: -161.916 bonds (distance) P-C4' energy: -157.063 flat angles C4'-P-C4' energy: -179.788 flat angles P-C4'-P energy: -112.103 tors. eta vs tors. theta energy: -220.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2600.582672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.582672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.582672 (E_RNA) where: Base-Base interactions energy: -1821.414 where: short stacking energy: -766.759 Base-Backbone interact. energy: 0.163 local terms energy: -779.331487 where: bonds (distance) C4'-P energy: -122.750 bonds (distance) P-C4' energy: -163.098 flat angles C4'-P-C4' energy: -176.274 flat angles P-C4'-P energy: -102.548 tors. eta vs tors. theta energy: -214.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2356.628406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.628406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.628406 (E_RNA) where: Base-Base interactions energy: -1620.619 where: short stacking energy: -688.221 Base-Backbone interact. energy: -5.241 local terms energy: -730.769046 where: bonds (distance) C4'-P energy: -142.650 bonds (distance) P-C4' energy: -149.011 flat angles C4'-P-C4' energy: -159.680 flat angles P-C4'-P energy: -96.956 tors. eta vs tors. theta energy: -182.471 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: 7 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -2345.780538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.780538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.780538 (E_RNA) where: Base-Base interactions energy: -1632.122 where: short stacking energy: -689.329 Base-Backbone interact. energy: 7.052 local terms energy: -720.709897 where: bonds (distance) C4'-P energy: -139.288 bonds (distance) P-C4' energy: -133.417 flat angles C4'-P-C4' energy: -163.384 flat angles P-C4'-P energy: -92.493 tors. eta vs tors. theta energy: -192.129 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: 185 Temperature: 1.200000 Total energy: -1858.012751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.012751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.012751 (E_RNA) where: Base-Base interactions energy: -1202.178 where: short stacking energy: -522.806 Base-Backbone interact. energy: 1.431 local terms energy: -657.266355 where: bonds (distance) C4'-P energy: -146.949 bonds (distance) P-C4' energy: -148.711 flat angles C4'-P-C4' energy: -138.391 flat angles P-C4'-P energy: -100.816 tors. eta vs tors. theta energy: -122.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1780.468437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.468437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.468437 (E_RNA) where: Base-Base interactions energy: -1192.440 where: short stacking energy: -520.288 Base-Backbone interact. energy: 0.978 local terms energy: -589.006516 where: bonds (distance) C4'-P energy: -121.648 bonds (distance) P-C4' energy: -140.316 flat angles C4'-P-C4' energy: -142.287 flat angles P-C4'-P energy: -87.821 tors. eta vs tors. theta energy: -96.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1352.851740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.851740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.851740 (E_RNA) where: Base-Base interactions energy: -819.726 where: short stacking energy: -360.689 Base-Backbone interact. energy: -1.208 local terms energy: -531.917409 where: bonds (distance) C4'-P energy: -120.231 bonds (distance) P-C4' energy: -154.393 flat angles C4'-P-C4' energy: -131.526 flat angles P-C4'-P energy: -86.543 tors. eta vs tors. theta energy: -39.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -885.970191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.970191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.970191 (E_RNA) where: Base-Base interactions energy: -438.990 where: short stacking energy: -238.638 Base-Backbone interact. energy: 3.500 local terms energy: -450.480209 where: bonds (distance) C4'-P energy: -141.343 bonds (distance) P-C4' energy: -143.905 flat angles C4'-P-C4' energy: -102.962 flat angles P-C4'-P energy: -73.951 tors. eta vs tors. theta energy: 11.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -3070.358414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.358414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.358414 (E_RNA) where: Base-Base interactions energy: -2191.048 where: short stacking energy: -861.681 Base-Backbone interact. energy: -4.381 local terms energy: -874.929146 where: bonds (distance) C4'-P energy: -170.750 bonds (distance) P-C4' energy: -168.603 flat angles C4'-P-C4' energy: -185.030 flat angles P-C4'-P energy: -123.444 tors. eta vs tors. theta energy: -227.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2813.251898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.251898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.251898 (E_RNA) where: Base-Base interactions energy: -1945.958 where: short stacking energy: -824.089 Base-Backbone interact. energy: -1.255 local terms energy: -866.038488 where: bonds (distance) C4'-P energy: -149.278 bonds (distance) P-C4' energy: -164.400 flat angles C4'-P-C4' energy: -192.035 flat angles P-C4'-P energy: -125.426 tors. eta vs tors. theta energy: -234.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2643.654770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.654770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.654770 (E_RNA) where: Base-Base interactions energy: -1837.320 where: short stacking energy: -768.337 Base-Backbone interact. energy: -1.565 local terms energy: -804.769608 where: bonds (distance) C4'-P energy: -140.917 bonds (distance) P-C4' energy: -164.582 flat angles C4'-P-C4' energy: -174.857 flat angles P-C4'-P energy: -116.925 tors. eta vs tors. theta energy: -207.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2576.153791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.153791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.153791 (E_RNA) where: Base-Base interactions energy: -1772.918 where: short stacking energy: -741.874 Base-Backbone interact. energy: -4.352 local terms energy: -798.883150 where: bonds (distance) C4'-P energy: -136.301 bonds (distance) P-C4' energy: -164.965 flat angles C4'-P-C4' energy: -172.168 flat angles P-C4'-P energy: -111.335 tors. eta vs tors. theta energy: -214.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2387.119762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.119762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.119762 (E_RNA) where: Base-Base interactions energy: -1653.742 where: short stacking energy: -708.788 Base-Backbone interact. energy: -1.617 local terms energy: -731.760360 where: bonds (distance) C4'-P energy: -131.034 bonds (distance) P-C4' energy: -164.278 flat angles C4'-P-C4' energy: -166.460 flat angles P-C4'-P energy: -85.642 tors. eta vs tors. theta energy: -184.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -2367.062021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.062021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.062021 (E_RNA) where: Base-Base interactions energy: -1612.924 where: short stacking energy: -669.873 Base-Backbone interact. energy: -4.242 local terms energy: -749.895995 where: bonds (distance) C4'-P energy: -138.757 bonds (distance) P-C4' energy: -174.352 flat angles C4'-P-C4' energy: -153.805 flat angles P-C4'-P energy: -104.655 tors. eta vs tors. theta energy: -178.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -2005.461167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.461167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.461167 (E_RNA) where: Base-Base interactions energy: -1344.330 where: short stacking energy: -593.176 Base-Backbone interact. energy: -3.930 local terms energy: -657.201175 where: bonds (distance) C4'-P energy: -135.552 bonds (distance) P-C4' energy: -112.602 flat angles C4'-P-C4' energy: -164.086 flat angles P-C4'-P energy: -99.869 tors. eta vs tors. theta energy: -145.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1726.873795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.873795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.873795 (E_RNA) where: Base-Base interactions energy: -1122.779 where: short stacking energy: -488.360 Base-Backbone interact. energy: -2.318 local terms energy: -601.776482 where: bonds (distance) C4'-P energy: -135.088 bonds (distance) P-C4' energy: -132.937 flat angles C4'-P-C4' energy: -138.009 flat angles P-C4'-P energy: -97.123 tors. eta vs tors. theta energy: -98.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -1343.866340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.866340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.866340 (E_RNA) where: Base-Base interactions energy: -831.478 where: short stacking energy: -366.892 Base-Backbone interact. energy: 2.978 local terms energy: -515.366245 where: bonds (distance) C4'-P energy: -116.133 bonds (distance) P-C4' energy: -134.944 flat angles C4'-P-C4' energy: -125.685 flat angles P-C4'-P energy: -90.528 tors. eta vs tors. theta energy: -48.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -868.738415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.738415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.738415 (E_RNA) where: Base-Base interactions energy: -442.537 where: short stacking energy: -238.985 Base-Backbone interact. energy: 5.724 local terms energy: -431.925310 where: bonds (distance) C4'-P energy: -127.157 bonds (distance) P-C4' energy: -134.478 flat angles C4'-P-C4' energy: -113.534 flat angles P-C4'-P energy: -78.065 tors. eta vs tors. theta energy: 21.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -3039.416030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.416030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.416030 (E_RNA) where: Base-Base interactions energy: -2177.509 where: short stacking energy: -876.049 Base-Backbone interact. energy: -5.066 local terms energy: -856.840634 where: bonds (distance) C4'-P energy: -148.052 bonds (distance) P-C4' energy: -164.206 flat angles C4'-P-C4' energy: -180.654 flat angles P-C4'-P energy: -127.116 tors. eta vs tors. theta energy: -236.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2831.829168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.829168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.829168 (E_RNA) where: Base-Base interactions energy: -1987.028 where: short stacking energy: -847.219 Base-Backbone interact. energy: -3.711 local terms energy: -841.090862 where: bonds (distance) C4'-P energy: -132.641 bonds (distance) P-C4' energy: -167.193 flat angles C4'-P-C4' energy: -182.080 flat angles P-C4'-P energy: -127.060 tors. eta vs tors. theta energy: -232.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2671.163157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.163157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.163157 (E_RNA) where: Base-Base interactions energy: -1875.579 where: short stacking energy: -801.579 Base-Backbone interact. energy: 1.719 local terms energy: -797.302840 where: bonds (distance) C4'-P energy: -143.385 bonds (distance) P-C4' energy: -147.135 flat angles C4'-P-C4' energy: -178.176 flat angles P-C4'-P energy: -111.252 tors. eta vs tors. theta energy: -217.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2597.791458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.791458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.791458 (E_RNA) where: Base-Base interactions energy: -1796.236 where: short stacking energy: -758.464 Base-Backbone interact. energy: -4.507 local terms energy: -797.047934 where: bonds (distance) C4'-P energy: -132.856 bonds (distance) P-C4' energy: -170.474 flat angles C4'-P-C4' energy: -167.439 flat angles P-C4'-P energy: -96.681 tors. eta vs tors. theta energy: -229.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2441.103137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.103137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.103137 (E_RNA) where: Base-Base interactions energy: -1677.653 where: short stacking energy: -709.763 Base-Backbone interact. energy: 3.358 local terms energy: -768.191602 where: bonds (distance) C4'-P energy: -145.502 bonds (distance) P-C4' energy: -153.845 flat angles C4'-P-C4' energy: -156.556 flat angles P-C4'-P energy: -107.599 tors. eta vs tors. theta energy: -204.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.383 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -2322.013565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.013565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.013565 (E_RNA) where: Base-Base interactions energy: -1599.971 where: short stacking energy: -665.939 Base-Backbone interact. energy: 2.940 local terms energy: -724.983189 where: bonds (distance) C4'-P energy: -150.009 bonds (distance) P-C4' energy: -146.884 flat angles C4'-P-C4' energy: -153.918 flat angles P-C4'-P energy: -95.418 tors. eta vs tors. theta energy: -178.754 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: 7, replica: 6 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1949.325558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.325558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.325558 (E_RNA) where: Base-Base interactions energy: -1269.341 where: short stacking energy: -552.918 Base-Backbone interact. energy: -0.989 local terms energy: -678.996419 where: bonds (distance) C4'-P energy: -130.779 bonds (distance) P-C4' energy: -145.214 flat angles C4'-P-C4' energy: -147.705 flat angles P-C4'-P energy: -113.439 tors. eta vs tors. theta energy: -141.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1713.038022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.038022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.038022 (E_RNA) where: Base-Base interactions energy: -1078.479 where: short stacking energy: -472.527 Base-Backbone interact. energy: -2.343 local terms energy: -632.215594 where: bonds (distance) C4'-P energy: -135.397 bonds (distance) P-C4' energy: -149.420 flat angles C4'-P-C4' energy: -155.891 flat angles P-C4'-P energy: -98.962 tors. eta vs tors. theta energy: -92.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -1283.411165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.411165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.411165 (E_RNA) where: Base-Base interactions energy: -769.288 where: short stacking energy: -367.107 Base-Backbone interact. energy: 4.586 local terms energy: -518.709528 where: bonds (distance) C4'-P energy: -110.716 bonds (distance) P-C4' energy: -131.452 flat angles C4'-P-C4' energy: -132.893 flat angles P-C4'-P energy: -83.100 tors. eta vs tors. theta energy: -60.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -866.967850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.967850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.967850 (E_RNA) where: Base-Base interactions energy: -433.529 where: short stacking energy: -237.656 Base-Backbone interact. energy: -1.003 local terms energy: -432.435043 where: bonds (distance) C4'-P energy: -132.267 bonds (distance) P-C4' energy: -146.227 flat angles C4'-P-C4' energy: -96.431 flat angles P-C4'-P energy: -60.707 tors. eta vs tors. theta energy: 3.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -3047.438656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.438656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.438656 (E_RNA) where: Base-Base interactions energy: -2196.250 where: short stacking energy: -854.581 Base-Backbone interact. energy: -3.822 local terms energy: -847.367161 where: bonds (distance) C4'-P energy: -153.972 bonds (distance) P-C4' energy: -155.254 flat angles C4'-P-C4' energy: -186.881 flat angles P-C4'-P energy: -124.586 tors. eta vs tors. theta energy: -226.674 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: 1 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2805.344146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.344146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.344146 (E_RNA) where: Base-Base interactions energy: -1958.610 where: short stacking energy: -814.073 Base-Backbone interact. energy: -2.440 local terms energy: -844.293929 where: bonds (distance) C4'-P energy: -148.457 bonds (distance) P-C4' energy: -163.658 flat angles C4'-P-C4' energy: -179.511 flat angles P-C4'-P energy: -133.331 tors. eta vs tors. theta energy: -219.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2644.854722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.854722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.854722 (E_RNA) where: Base-Base interactions energy: -1831.836 where: short stacking energy: -773.763 Base-Backbone interact. energy: -0.292 local terms energy: -812.726626 where: bonds (distance) C4'-P energy: -155.072 bonds (distance) P-C4' energy: -157.167 flat angles C4'-P-C4' energy: -179.617 flat angles P-C4'-P energy: -116.772 tors. eta vs tors. theta energy: -204.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2555.691042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.691042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.691042 (E_RNA) where: Base-Base interactions energy: -1768.194 where: short stacking energy: -736.429 Base-Backbone interact. energy: -3.844 local terms energy: -783.653143 where: bonds (distance) C4'-P energy: -143.155 bonds (distance) P-C4' energy: -167.041 flat angles C4'-P-C4' energy: -167.746 flat angles P-C4'-P energy: -100.505 tors. eta vs tors. theta energy: -205.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2455.630829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.630829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.630829 (E_RNA) where: Base-Base interactions energy: -1682.468 where: short stacking energy: -734.423 Base-Backbone interact. energy: -3.535 local terms energy: -769.627716 where: bonds (distance) C4'-P energy: -141.042 bonds (distance) P-C4' energy: -172.581 flat angles C4'-P-C4' energy: -166.356 flat angles P-C4'-P energy: -100.582 tors. eta vs tors. theta energy: -189.066 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: 188 Temperature: 1.150000 Total energy: -2365.592289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.592289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.592289 (E_RNA) where: Base-Base interactions energy: -1646.258 where: short stacking energy: -684.958 Base-Backbone interact. energy: -2.756 local terms energy: -716.578400 where: bonds (distance) C4'-P energy: -135.544 bonds (distance) P-C4' energy: -146.273 flat angles C4'-P-C4' energy: -156.432 flat angles P-C4'-P energy: -100.647 tors. eta vs tors. theta energy: -177.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1911.177992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.177992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.177992 (E_RNA) where: Base-Base interactions energy: -1274.643 where: short stacking energy: -533.962 Base-Backbone interact. energy: 0.617 local terms energy: -637.152287 where: bonds (distance) C4'-P energy: -123.861 bonds (distance) P-C4' energy: -148.734 flat angles C4'-P-C4' energy: -153.759 flat angles P-C4'-P energy: -83.501 tors. eta vs tors. theta energy: -127.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1706.727558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.727558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.727558 (E_RNA) where: Base-Base interactions energy: -1127.589 where: short stacking energy: -491.295 Base-Backbone interact. energy: -0.628 local terms energy: -578.509753 where: bonds (distance) C4'-P energy: -136.178 bonds (distance) P-C4' energy: -123.379 flat angles C4'-P-C4' energy: -133.311 flat angles P-C4'-P energy: -87.419 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: 9, replica: 9 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1285.409994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.409994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.409994 (E_RNA) where: Base-Base interactions energy: -794.008 where: short stacking energy: -351.942 Base-Backbone interact. energy: -1.429 local terms energy: -489.973579 where: bonds (distance) C4'-P energy: -131.084 bonds (distance) P-C4' energy: -126.637 flat angles C4'-P-C4' energy: -128.175 flat angles P-C4'-P energy: -78.686 tors. eta vs tors. theta energy: -25.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -833.156343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.156343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.156343 (E_RNA) where: Base-Base interactions energy: -422.469 where: short stacking energy: -239.429 Base-Backbone interact. energy: 3.030 local terms energy: -413.717422 where: bonds (distance) C4'-P energy: -124.998 bonds (distance) P-C4' energy: -138.726 flat angles C4'-P-C4' energy: -84.290 flat angles P-C4'-P energy: -76.864 tors. eta vs tors. theta energy: 11.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -3060.861454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.861454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.861454 (E_RNA) where: Base-Base interactions energy: -2179.480 where: short stacking energy: -869.892 Base-Backbone interact. energy: -0.616 local terms energy: -880.765024 where: bonds (distance) C4'-P energy: -173.534 bonds (distance) P-C4' energy: -167.629 flat angles C4'-P-C4' energy: -181.466 flat angles P-C4'-P energy: -134.808 tors. eta vs tors. theta energy: -223.328 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: 1 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2838.235029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.235029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.235029 (E_RNA) where: Base-Base interactions energy: -1971.396 where: short stacking energy: -851.886 Base-Backbone interact. energy: -4.992 local terms energy: -861.847649 where: bonds (distance) C4'-P energy: -146.483 bonds (distance) P-C4' energy: -174.157 flat angles C4'-P-C4' energy: -187.832 flat angles P-C4'-P energy: -113.587 tors. eta vs tors. theta energy: -239.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2635.016925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.016925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.016925 (E_RNA) where: Base-Base interactions energy: -1796.886 where: short stacking energy: -738.863 Base-Backbone interact. energy: -7.182 local terms energy: -830.948904 where: bonds (distance) C4'-P energy: -160.559 bonds (distance) P-C4' energy: -169.651 flat angles C4'-P-C4' energy: -183.728 flat angles P-C4'-P energy: -111.427 tors. eta vs tors. theta energy: -205.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2628.325596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.325596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.325596 (E_RNA) where: Base-Base interactions energy: -1835.191 where: short stacking energy: -751.645 Base-Backbone interact. energy: -2.688 local terms energy: -790.447012 where: bonds (distance) C4'-P energy: -150.582 bonds (distance) P-C4' energy: -162.460 flat angles C4'-P-C4' energy: -174.431 flat angles P-C4'-P energy: -103.658 tors. eta vs tors. theta energy: -199.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2375.679677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.679677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.679677 (E_RNA) where: Base-Base interactions energy: -1625.217 where: short stacking energy: -696.270 Base-Backbone interact. energy: -2.847 local terms energy: -747.615827 where: bonds (distance) C4'-P energy: -137.889 bonds (distance) P-C4' energy: -146.090 flat angles C4'-P-C4' energy: -173.368 flat angles P-C4'-P energy: -101.057 tors. eta vs tors. theta energy: -189.211 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: 7 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -2354.065435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.065435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.065435 (E_RNA) where: Base-Base interactions energy: -1602.900 where: short stacking energy: -685.282 Base-Backbone interact. energy: -1.480 local terms energy: -749.685279 where: bonds (distance) C4'-P energy: -153.206 bonds (distance) P-C4' energy: -153.024 flat angles C4'-P-C4' energy: -149.692 flat angles P-C4'-P energy: -112.642 tors. eta vs tors. theta energy: -181.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1927.753071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.753071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.753071 (E_RNA) where: Base-Base interactions energy: -1293.512 where: short stacking energy: -547.247 Base-Backbone interact. energy: -3.696 local terms energy: -630.545196 where: bonds (distance) C4'-P energy: -131.093 bonds (distance) P-C4' energy: -133.445 flat angles C4'-P-C4' energy: -140.135 flat angles P-C4'-P energy: -110.376 tors. eta vs tors. theta energy: -115.496 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: 2 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1725.617916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.617916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.617916 (E_RNA) where: Base-Base interactions energy: -1135.768 where: short stacking energy: -478.813 Base-Backbone interact. energy: 0.230 local terms energy: -590.080041 where: bonds (distance) C4'-P energy: -140.013 bonds (distance) P-C4' energy: -144.923 flat angles C4'-P-C4' energy: -118.706 flat angles P-C4'-P energy: -93.486 tors. eta vs tors. theta energy: -92.952 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: 189 Temperature: 1.300000 Total energy: -1311.676889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.676889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.676889 (E_RNA) where: Base-Base interactions energy: -788.747 where: short stacking energy: -379.948 Base-Backbone interact. energy: 7.008 local terms energy: -529.938502 where: bonds (distance) C4'-P energy: -128.235 bonds (distance) P-C4' energy: -161.875 flat angles C4'-P-C4' energy: -125.499 flat angles P-C4'-P energy: -73.961 tors. eta vs tors. theta energy: -40.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -862.409180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.409180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.409180 (E_RNA) where: Base-Base interactions energy: -425.133 where: short stacking energy: -242.081 Base-Backbone interact. energy: 1.229 local terms energy: -438.505489 where: bonds (distance) C4'-P energy: -123.006 bonds (distance) P-C4' energy: -149.573 flat angles C4'-P-C4' energy: -131.489 flat angles P-C4'-P energy: -54.007 tors. eta vs tors. theta energy: 19.569 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: 3 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -3009.379259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.379259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.379259 (E_RNA) where: Base-Base interactions energy: -2118.608 where: short stacking energy: -832.129 Base-Backbone interact. energy: -5.137 local terms energy: -885.634950 where: bonds (distance) C4'-P energy: -180.810 bonds (distance) P-C4' energy: -159.372 flat angles C4'-P-C4' energy: -189.879 flat angles P-C4'-P energy: -125.928 tors. eta vs tors. theta energy: -229.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2790.336469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.336469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.336469 (E_RNA) where: Base-Base interactions energy: -1939.786 where: short stacking energy: -792.184 Base-Backbone interact. energy: -3.709 local terms energy: -846.841502 where: bonds (distance) C4'-P energy: -156.565 bonds (distance) P-C4' energy: -166.940 flat angles C4'-P-C4' energy: -183.044 flat angles P-C4'-P energy: -118.558 tors. eta vs tors. theta energy: -221.735 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: 5 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2708.695932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.695932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.695932 (E_RNA) where: Base-Base interactions energy: -1884.729 where: short stacking energy: -790.655 Base-Backbone interact. energy: -5.762 local terms energy: -818.204763 where: bonds (distance) C4'-P energy: -149.839 bonds (distance) P-C4' energy: -160.089 flat angles C4'-P-C4' energy: -178.992 flat angles P-C4'-P energy: -115.802 tors. eta vs tors. theta energy: -213.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2604.113467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.113467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.113467 (E_RNA) where: Base-Base interactions energy: -1794.383 where: short stacking energy: -749.676 Base-Backbone interact. energy: -6.405 local terms energy: -803.325021 where: bonds (distance) C4'-P energy: -143.246 bonds (distance) P-C4' energy: -155.040 flat angles C4'-P-C4' energy: -175.842 flat angles P-C4'-P energy: -119.328 tors. eta vs tors. theta energy: -209.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2457.144972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.144972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.144972 (E_RNA) where: Base-Base interactions energy: -1673.029 where: short stacking energy: -704.926 Base-Backbone interact. energy: -2.537 local terms energy: -781.578154 where: bonds (distance) C4'-P energy: -131.472 bonds (distance) P-C4' energy: -155.923 flat angles C4'-P-C4' energy: -172.253 flat angles P-C4'-P energy: -120.230 tors. eta vs tors. theta energy: -201.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -2301.331195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.331195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.331195 (E_RNA) where: Base-Base interactions energy: -1593.440 where: short stacking energy: -670.837 Base-Backbone interact. energy: -5.825 local terms energy: -702.065797 where: bonds (distance) C4'-P energy: -127.399 bonds (distance) P-C4' energy: -146.903 flat angles C4'-P-C4' energy: -151.192 flat angles P-C4'-P energy: -100.262 tors. eta vs tors. theta energy: -176.309 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: 190 Temperature: 1.200000 Total energy: -1952.774952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.774952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.774952 (E_RNA) where: Base-Base interactions energy: -1279.853 where: short stacking energy: -535.899 Base-Backbone interact. energy: -3.416 local terms energy: -669.505359 where: bonds (distance) C4'-P energy: -128.647 bonds (distance) P-C4' energy: -163.445 flat angles C4'-P-C4' energy: -158.298 flat angles P-C4'-P energy: -97.293 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: 8, replica: 2 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1803.055803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.055803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.055803 (E_RNA) where: Base-Base interactions energy: -1202.320 where: short stacking energy: -521.897 Base-Backbone interact. energy: -1.911 local terms energy: -599.442992 where: bonds (distance) C4'-P energy: -136.895 bonds (distance) P-C4' energy: -153.316 flat angles C4'-P-C4' energy: -134.923 flat angles P-C4'-P energy: -73.976 tors. eta vs tors. theta energy: -100.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.618 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1333.173500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.173500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.173500 (E_RNA) where: Base-Base interactions energy: -824.052 where: short stacking energy: -400.122 Base-Backbone interact. energy: 5.626 local terms energy: -514.747189 where: bonds (distance) C4'-P energy: -142.988 bonds (distance) P-C4' energy: -145.026 flat angles C4'-P-C4' energy: -120.062 flat angles P-C4'-P energy: -79.412 tors. eta vs tors. theta energy: -27.259 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: 10, replica: 10 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -869.532430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.532430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.532430 (E_RNA) where: Base-Base interactions energy: -441.910 where: short stacking energy: -264.992 Base-Backbone interact. energy: 1.782 local terms energy: -429.404488 where: bonds (distance) C4'-P energy: -113.835 bonds (distance) P-C4' energy: -141.224 flat angles C4'-P-C4' energy: -112.723 flat angles P-C4'-P energy: -73.651 tors. eta vs tors. theta energy: 12.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -3037.782193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.782193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.782193 (E_RNA) where: Base-Base interactions energy: -2166.388 where: short stacking energy: -856.582 Base-Backbone interact. energy: -3.519 local terms energy: -867.874761 where: bonds (distance) C4'-P energy: -153.204 bonds (distance) P-C4' energy: -175.131 flat angles C4'-P-C4' energy: -179.388 flat angles P-C4'-P energy: -120.662 tors. eta vs tors. theta energy: -239.489 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: 1 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2779.954191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.954191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.954191 (E_RNA) where: Base-Base interactions energy: -1929.157 where: short stacking energy: -789.673 Base-Backbone interact. energy: -2.899 local terms energy: -847.898046 where: bonds (distance) C4'-P energy: -157.351 bonds (distance) P-C4' energy: -164.962 flat angles C4'-P-C4' energy: -176.987 flat angles P-C4'-P energy: -124.951 tors. eta vs tors. theta energy: -223.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2700.043324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.043324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.043324 (E_RNA) where: Base-Base interactions energy: -1862.934 where: short stacking energy: -785.899 Base-Backbone interact. energy: -5.520 local terms energy: -831.588906 where: bonds (distance) C4'-P energy: -148.250 bonds (distance) P-C4' energy: -180.204 flat angles C4'-P-C4' energy: -193.206 flat angles P-C4'-P energy: -103.807 tors. eta vs tors. theta energy: -206.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2550.191274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.191274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.191274 (E_RNA) where: Base-Base interactions energy: -1737.320 where: short stacking energy: -726.650 Base-Backbone interact. energy: -4.780 local terms energy: -808.091173 where: bonds (distance) C4'-P energy: -152.475 bonds (distance) P-C4' energy: -171.260 flat angles C4'-P-C4' energy: -164.163 flat angles P-C4'-P energy: -122.786 tors. eta vs tors. theta energy: -197.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2464.921940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.921940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.921940 (E_RNA) where: Base-Base interactions energy: -1692.539 where: short stacking energy: -705.068 Base-Backbone interact. energy: -1.816 local terms energy: -770.566893 where: bonds (distance) C4'-P energy: -148.124 bonds (distance) P-C4' energy: -152.239 flat angles C4'-P-C4' energy: -165.760 flat angles P-C4'-P energy: -102.731 tors. eta vs tors. theta energy: -201.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -2306.478287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.478287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.478287 (E_RNA) where: Base-Base interactions energy: -1595.302 where: short stacking energy: -698.180 Base-Backbone interact. energy: -2.602 local terms energy: -708.574740 where: bonds (distance) C4'-P energy: -139.202 bonds (distance) P-C4' energy: -148.800 flat angles C4'-P-C4' energy: -156.581 flat angles P-C4'-P energy: -96.187 tors. eta vs tors. theta energy: -167.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1986.137538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.137538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.137538 (E_RNA) where: Base-Base interactions energy: -1336.494 where: short stacking energy: -564.679 Base-Backbone interact. energy: -5.787 local terms energy: -643.857081 where: bonds (distance) C4'-P energy: -131.014 bonds (distance) P-C4' energy: -134.676 flat angles C4'-P-C4' energy: -145.982 flat angles P-C4'-P energy: -105.191 tors. eta vs tors. theta energy: -126.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1784.927139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.927139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.927139 (E_RNA) where: Base-Base interactions energy: -1191.908 where: short stacking energy: -518.764 Base-Backbone interact. energy: 1.127 local terms energy: -594.146639 where: bonds (distance) C4'-P energy: -118.418 bonds (distance) P-C4' energy: -143.131 flat angles C4'-P-C4' energy: -139.728 flat angles P-C4'-P energy: -86.980 tors. eta vs tors. theta energy: -105.889 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: 9 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1335.775349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.775349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.775349 (E_RNA) where: Base-Base interactions energy: -802.687 where: short stacking energy: -404.767 Base-Backbone interact. energy: 2.505 local terms energy: -535.601731 where: bonds (distance) C4'-P energy: -119.497 bonds (distance) P-C4' energy: -134.645 flat angles C4'-P-C4' energy: -141.607 flat angles P-C4'-P energy: -85.867 tors. eta vs tors. theta energy: -53.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.008 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -924.318139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.318139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.318139 (E_RNA) where: Base-Base interactions energy: -453.555 where: short stacking energy: -257.047 Base-Backbone interact. energy: -0.619 local terms energy: -470.144805 where: bonds (distance) C4'-P energy: -138.557 bonds (distance) P-C4' energy: -130.773 flat angles C4'-P-C4' energy: -106.356 flat angles P-C4'-P energy: -72.139 tors. eta vs tors. theta energy: -22.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -3025.068494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.068494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.068494 (E_RNA) where: Base-Base interactions energy: -2149.676 where: short stacking energy: -856.797 Base-Backbone interact. energy: -4.651 local terms energy: -870.741861 where: bonds (distance) C4'-P energy: -164.849 bonds (distance) P-C4' energy: -168.159 flat angles C4'-P-C4' energy: -178.495 flat angles P-C4'-P energy: -126.567 tors. eta vs tors. theta energy: -232.672 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: 1 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2815.800348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.800348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.800348 (E_RNA) where: Base-Base interactions energy: -1951.829 where: short stacking energy: -830.206 Base-Backbone interact. energy: 3.247 local terms energy: -867.218544 where: bonds (distance) C4'-P energy: -149.597 bonds (distance) P-C4' energy: -177.118 flat angles C4'-P-C4' energy: -178.683 flat angles P-C4'-P energy: -125.187 tors. eta vs tors. theta energy: -236.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2706.828427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.828427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.828427 (E_RNA) where: Base-Base interactions energy: -1873.842 where: short stacking energy: -764.588 Base-Backbone interact. energy: -2.532 local terms energy: -830.454759 where: bonds (distance) C4'-P energy: -171.852 bonds (distance) P-C4' energy: -175.465 flat angles C4'-P-C4' energy: -174.373 flat angles P-C4'-P energy: -105.729 tors. eta vs tors. theta energy: -203.037 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: 4 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2565.839933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.839933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.839933 (E_RNA) where: Base-Base interactions energy: -1769.309 where: short stacking energy: -764.789 Base-Backbone interact. energy: -2.380 local terms energy: -794.151502 where: bonds (distance) C4'-P energy: -142.245 bonds (distance) P-C4' energy: -151.649 flat angles C4'-P-C4' energy: -176.659 flat angles P-C4'-P energy: -118.434 tors. eta vs tors. theta energy: -205.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2467.243437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.243437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.243437 (E_RNA) where: Base-Base interactions energy: -1713.539 where: short stacking energy: -719.686 Base-Backbone interact. energy: 0.663 local terms energy: -754.366970 where: bonds (distance) C4'-P energy: -133.396 bonds (distance) P-C4' energy: -150.615 flat angles C4'-P-C4' energy: -173.973 flat angles P-C4'-P energy: -103.875 tors. eta vs tors. theta energy: -192.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -2329.011444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.011444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.011444 (E_RNA) where: Base-Base interactions energy: -1613.871 where: short stacking energy: -655.923 Base-Backbone interact. energy: -1.237 local terms energy: -713.903193 where: bonds (distance) C4'-P energy: -141.546 bonds (distance) P-C4' energy: -160.272 flat angles C4'-P-C4' energy: -149.397 flat angles P-C4'-P energy: -90.543 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: 7, replica: 6 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -2018.632553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.632553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.632553 (E_RNA) where: Base-Base interactions energy: -1326.811 where: short stacking energy: -562.572 Base-Backbone interact. energy: -4.259 local terms energy: -687.562441 where: bonds (distance) C4'-P energy: -140.560 bonds (distance) P-C4' energy: -153.441 flat angles C4'-P-C4' energy: -142.991 flat angles P-C4'-P energy: -94.459 tors. eta vs tors. theta energy: -156.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1762.892953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.892953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.892953 (E_RNA) where: Base-Base interactions energy: -1139.571 where: short stacking energy: -487.352 Base-Backbone interact. energy: -3.212 local terms energy: -620.109642 where: bonds (distance) C4'-P energy: -117.085 bonds (distance) P-C4' energy: -158.999 flat angles C4'-P-C4' energy: -135.289 flat angles P-C4'-P energy: -101.383 tors. eta vs tors. theta energy: -107.354 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: 192 Temperature: 1.300000 Total energy: -1346.708254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.708254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.708254 (E_RNA) where: Base-Base interactions energy: -813.381 where: short stacking energy: -406.646 Base-Backbone interact. energy: -1.613 local terms energy: -531.714176 where: bonds (distance) C4'-P energy: -118.774 bonds (distance) P-C4' energy: -137.409 flat angles C4'-P-C4' energy: -129.535 flat angles P-C4'-P energy: -78.201 tors. eta vs tors. theta energy: -67.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -901.852760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.852760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.852760 (E_RNA) where: Base-Base interactions energy: -428.793 where: short stacking energy: -224.918 Base-Backbone interact. energy: 0.433 local terms energy: -473.492584 where: bonds (distance) C4'-P energy: -137.999 bonds (distance) P-C4' energy: -136.875 flat angles C4'-P-C4' energy: -127.675 flat angles P-C4'-P energy: -66.926 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: 1, replica: 3 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -3098.246295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.246295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.246295 (E_RNA) where: Base-Base interactions energy: -2200.678 where: short stacking energy: -886.664 Base-Backbone interact. energy: -2.837 local terms energy: -894.731545 where: bonds (distance) C4'-P energy: -159.340 bonds (distance) P-C4' energy: -157.056 flat angles C4'-P-C4' energy: -184.963 flat angles P-C4'-P energy: -146.385 tors. eta vs tors. theta energy: -246.988 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: 193 Temperature: 0.950000 Total energy: -2819.488570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.488570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.488570 (E_RNA) where: Base-Base interactions energy: -1957.045 where: short stacking energy: -827.078 Base-Backbone interact. energy: -6.503 local terms energy: -855.940033 where: bonds (distance) C4'-P energy: -140.221 bonds (distance) P-C4' energy: -169.170 flat angles C4'-P-C4' energy: -186.165 flat angles P-C4'-P energy: -138.130 tors. eta vs tors. theta energy: -222.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2677.081346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.081346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.081346 (E_RNA) where: Base-Base interactions energy: -1913.823 where: short stacking energy: -779.185 Base-Backbone interact. energy: -3.993 local terms energy: -759.264973 where: bonds (distance) C4'-P energy: -127.641 bonds (distance) P-C4' energy: -142.768 flat angles C4'-P-C4' energy: -165.453 flat angles P-C4'-P energy: -120.730 tors. eta vs tors. theta energy: -202.673 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: 4 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2544.583526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.583526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.583526 (E_RNA) where: Base-Base interactions energy: -1733.322 where: short stacking energy: -765.260 Base-Backbone interact. energy: -4.914 local terms energy: -806.347240 where: bonds (distance) C4'-P energy: -142.992 bonds (distance) P-C4' energy: -160.549 flat angles C4'-P-C4' energy: -179.313 flat angles P-C4'-P energy: -119.230 tors. eta vs tors. theta energy: -204.263 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: 193 Temperature: 1.100000 Total energy: -2510.409659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.409659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.409659 (E_RNA) where: Base-Base interactions energy: -1683.841 where: short stacking energy: -706.613 Base-Backbone interact. energy: -1.692 local terms energy: -824.876607 where: bonds (distance) C4'-P energy: -139.188 bonds (distance) P-C4' energy: -170.756 flat angles C4'-P-C4' energy: -185.660 flat angles P-C4'-P energy: -131.030 tors. eta vs tors. theta energy: -198.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -2313.418150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.418150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.418150 (E_RNA) where: Base-Base interactions energy: -1591.964 where: short stacking energy: -683.645 Base-Backbone interact. energy: -3.142 local terms energy: -718.312704 where: bonds (distance) C4'-P energy: -138.994 bonds (distance) P-C4' energy: -168.964 flat angles C4'-P-C4' energy: -152.623 flat angles P-C4'-P energy: -94.892 tors. eta vs tors. theta energy: -162.840 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: 6 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1931.363757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.363757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.363757 (E_RNA) where: Base-Base interactions energy: -1270.608 where: short stacking energy: -537.937 Base-Backbone interact. energy: -1.805 local terms energy: -658.950262 where: bonds (distance) C4'-P energy: -130.787 bonds (distance) P-C4' energy: -154.386 flat angles C4'-P-C4' energy: -140.172 flat angles P-C4'-P energy: -98.349 tors. eta vs tors. theta energy: -135.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1804.888434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.888434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.888434 (E_RNA) where: Base-Base interactions energy: -1241.486 where: short stacking energy: -579.679 Base-Backbone interact. energy: 2.207 local terms energy: -565.610158 where: bonds (distance) C4'-P energy: -94.064 bonds (distance) P-C4' energy: -138.932 flat angles C4'-P-C4' energy: -120.510 flat angles P-C4'-P energy: -84.282 tors. eta vs tors. theta energy: -127.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1357.861267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.861267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.861267 (E_RNA) where: Base-Base interactions energy: -849.382 where: short stacking energy: -413.069 Base-Backbone interact. energy: -4.017 local terms energy: -504.462141 where: bonds (distance) C4'-P energy: -110.594 bonds (distance) P-C4' energy: -149.827 flat angles C4'-P-C4' energy: -124.259 flat angles P-C4'-P energy: -81.266 tors. eta vs tors. theta energy: -38.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -886.056201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.056201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.056201 (E_RNA) where: Base-Base interactions energy: -434.889 where: short stacking energy: -230.777 Base-Backbone interact. energy: -1.276 local terms energy: -449.890874 where: bonds (distance) C4'-P energy: -132.492 bonds (distance) P-C4' energy: -143.931 flat angles C4'-P-C4' energy: -124.071 flat angles P-C4'-P energy: -63.081 tors. eta vs tors. theta energy: 13.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -3062.915173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.915173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.915173 (E_RNA) where: Base-Base interactions energy: -2170.366 where: short stacking energy: -859.161 Base-Backbone interact. energy: -4.021 local terms energy: -888.528424 where: bonds (distance) C4'-P energy: -148.520 bonds (distance) P-C4' energy: -178.191 flat angles C4'-P-C4' energy: -184.768 flat angles P-C4'-P energy: -133.955 tors. eta vs tors. theta energy: -243.094 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: 1 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2835.278882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.278882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.278882 (E_RNA) where: Base-Base interactions energy: -1971.319 where: short stacking energy: -830.269 Base-Backbone interact. energy: -5.187 local terms energy: -858.772908 where: bonds (distance) C4'-P energy: -147.368 bonds (distance) P-C4' energy: -166.537 flat angles C4'-P-C4' energy: -185.799 flat angles P-C4'-P energy: -120.798 tors. eta vs tors. theta energy: -238.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2677.168464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.168464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.168464 (E_RNA) where: Base-Base interactions energy: -1881.756 where: short stacking energy: -810.474 Base-Backbone interact. energy: -3.902 local terms energy: -791.509670 where: bonds (distance) C4'-P energy: -141.731 bonds (distance) P-C4' energy: -149.729 flat angles C4'-P-C4' energy: -175.543 flat angles P-C4'-P energy: -111.770 tors. eta vs tors. theta energy: -212.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2531.282936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.282936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.282936 (E_RNA) where: Base-Base interactions energy: -1755.275 where: short stacking energy: -732.462 Base-Backbone interact. energy: -2.214 local terms energy: -773.793860 where: bonds (distance) C4'-P energy: -133.886 bonds (distance) P-C4' energy: -152.685 flat angles C4'-P-C4' energy: -175.876 flat angles P-C4'-P energy: -115.798 tors. eta vs tors. theta energy: -195.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2505.200098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.200098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.200098 (E_RNA) where: Base-Base interactions energy: -1758.298 where: short stacking energy: -744.293 Base-Backbone interact. energy: -5.764 local terms energy: -741.138138 where: bonds (distance) C4'-P energy: -136.217 bonds (distance) P-C4' energy: -151.314 flat angles C4'-P-C4' energy: -150.734 flat angles P-C4'-P energy: -115.499 tors. eta vs tors. theta energy: -187.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -2332.292745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.292745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.292745 (E_RNA) where: Base-Base interactions energy: -1621.300 where: short stacking energy: -674.011 Base-Backbone interact. energy: -0.085 local terms energy: -710.907538 where: bonds (distance) C4'-P energy: -147.970 bonds (distance) P-C4' energy: -134.863 flat angles C4'-P-C4' energy: -153.119 flat angles P-C4'-P energy: -106.136 tors. eta vs tors. theta energy: -168.820 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: 6 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1914.075385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.075385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.075385 (E_RNA) where: Base-Base interactions energy: -1243.013 where: short stacking energy: -550.530 Base-Backbone interact. energy: -1.389 local terms energy: -669.673965 where: bonds (distance) C4'-P energy: -136.190 bonds (distance) P-C4' energy: -134.416 flat angles C4'-P-C4' energy: -154.011 flat angles P-C4'-P energy: -103.521 tors. eta vs tors. theta energy: -141.535 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: 8, replica: 2 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1869.297195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.297195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.297195 (E_RNA) where: Base-Base interactions energy: -1242.271 where: short stacking energy: -557.750 Base-Backbone interact. energy: -4.011 local terms energy: -623.015414 where: bonds (distance) C4'-P energy: -124.278 bonds (distance) P-C4' energy: -145.021 flat angles C4'-P-C4' energy: -140.531 flat angles P-C4'-P energy: -94.891 tors. eta vs tors. theta energy: -118.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1371.367615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.367615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.367615 (E_RNA) where: Base-Base interactions energy: -854.767 where: short stacking energy: -404.522 Base-Backbone interact. energy: 1.547 local terms energy: -518.147499 where: bonds (distance) C4'-P energy: -132.903 bonds (distance) P-C4' energy: -124.412 flat angles C4'-P-C4' energy: -116.583 flat angles P-C4'-P energy: -78.644 tors. eta vs tors. theta energy: -65.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -875.792253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.792253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.792253 (E_RNA) where: Base-Base interactions energy: -453.126 where: short stacking energy: -245.335 Base-Backbone interact. energy: 0.983 local terms energy: -423.650186 where: bonds (distance) C4'-P energy: -136.361 bonds (distance) P-C4' energy: -154.095 flat angles C4'-P-C4' energy: -91.576 flat angles P-C4'-P energy: -58.489 tors. eta vs tors. theta energy: 16.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -3014.190653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.190653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.190653 (E_RNA) where: Base-Base interactions energy: -2128.273 where: short stacking energy: -813.077 Base-Backbone interact. energy: -1.443 local terms energy: -884.473925 where: bonds (distance) C4'-P energy: -163.325 bonds (distance) P-C4' energy: -177.136 flat angles C4'-P-C4' energy: -185.618 flat angles P-C4'-P energy: -125.753 tors. eta vs tors. theta energy: -232.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2838.325984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.325984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.325984 (E_RNA) where: Base-Base interactions energy: -1966.526 where: short stacking energy: -837.362 Base-Backbone interact. energy: -2.586 local terms energy: -869.213041 where: bonds (distance) C4'-P energy: -153.987 bonds (distance) P-C4' energy: -155.419 flat angles C4'-P-C4' energy: -188.209 flat angles P-C4'-P energy: -133.407 tors. eta vs tors. theta energy: -238.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2677.962017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.962017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.962017 (E_RNA) where: Base-Base interactions energy: -1859.764 where: short stacking energy: -775.255 Base-Backbone interact. energy: -1.997 local terms energy: -816.200965 where: bonds (distance) C4'-P energy: -149.665 bonds (distance) P-C4' energy: -155.477 flat angles C4'-P-C4' energy: -186.026 flat angles P-C4'-P energy: -114.105 tors. eta vs tors. theta energy: -210.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2552.825688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.825688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.825688 (E_RNA) where: Base-Base interactions energy: -1729.957 where: short stacking energy: -740.903 Base-Backbone interact. energy: 1.131 local terms energy: -823.999113 where: bonds (distance) C4'-P energy: -139.929 bonds (distance) P-C4' energy: -158.498 flat angles C4'-P-C4' energy: -183.083 flat angles P-C4'-P energy: -128.822 tors. eta vs tors. theta energy: -213.668 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: 7 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2436.243643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.243643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.243643 (E_RNA) where: Base-Base interactions energy: -1670.701 where: short stacking energy: -708.985 Base-Backbone interact. energy: -3.638 local terms energy: -761.904780 where: bonds (distance) C4'-P energy: -132.859 bonds (distance) P-C4' energy: -141.059 flat angles C4'-P-C4' energy: -170.471 flat angles P-C4'-P energy: -117.486 tors. eta vs tors. theta energy: -200.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -2267.692238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.692238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.692238 (E_RNA) where: Base-Base interactions energy: -1540.260 where: short stacking energy: -618.345 Base-Backbone interact. energy: -2.053 local terms energy: -725.379143 where: bonds (distance) C4'-P energy: -151.907 bonds (distance) P-C4' energy: -147.695 flat angles C4'-P-C4' energy: -167.486 flat angles P-C4'-P energy: -102.479 tors. eta vs tors. theta energy: -155.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1901.601163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.601163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.601163 (E_RNA) where: Base-Base interactions energy: -1274.442 where: short stacking energy: -568.593 Base-Backbone interact. energy: -1.622 local terms energy: -625.536834 where: bonds (distance) C4'-P energy: -144.200 bonds (distance) P-C4' energy: -134.502 flat angles C4'-P-C4' energy: -131.989 flat angles P-C4'-P energy: -94.252 tors. eta vs tors. theta energy: -120.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1845.518955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.518955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.518955 (E_RNA) where: Base-Base interactions energy: -1238.004 where: short stacking energy: -543.511 Base-Backbone interact. energy: -1.521 local terms energy: -605.993564 where: bonds (distance) C4'-P energy: -127.843 bonds (distance) P-C4' energy: -130.556 flat angles C4'-P-C4' energy: -145.277 flat angles P-C4'-P energy: -88.488 tors. eta vs tors. theta energy: -113.829 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: 195 Temperature: 1.300000 Total energy: -1348.063153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.063153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.063153 (E_RNA) where: Base-Base interactions energy: -813.841 where: short stacking energy: -365.501 Base-Backbone interact. energy: 0.517 local terms energy: -534.739809 where: bonds (distance) C4'-P energy: -143.024 bonds (distance) P-C4' energy: -139.257 flat angles C4'-P-C4' energy: -146.323 flat angles P-C4'-P energy: -57.780 tors. eta vs tors. theta energy: -48.356 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: 10 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -850.217580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.217580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.217580 (E_RNA) where: Base-Base interactions energy: -445.246 where: short stacking energy: -265.949 Base-Backbone interact. energy: 2.336 local terms energy: -407.307204 where: bonds (distance) C4'-P energy: -133.100 bonds (distance) P-C4' energy: -118.500 flat angles C4'-P-C4' energy: -87.966 flat angles P-C4'-P energy: -67.663 tors. eta vs tors. theta energy: -0.078 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: 3 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -3090.013512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.013512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.013512 (E_RNA) where: Base-Base interactions energy: -2170.348 where: short stacking energy: -862.141 Base-Backbone interact. energy: -2.667 local terms energy: -916.998985 where: bonds (distance) C4'-P energy: -170.113 bonds (distance) P-C4' energy: -178.247 flat angles C4'-P-C4' energy: -196.332 flat angles P-C4'-P energy: -128.833 tors. eta vs tors. theta energy: -243.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2831.164070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.164070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.164070 (E_RNA) where: Base-Base interactions energy: -1983.929 where: short stacking energy: -822.506 Base-Backbone interact. energy: -3.724 local terms energy: -843.510500 where: bonds (distance) C4'-P energy: -150.032 bonds (distance) P-C4' energy: -160.732 flat angles C4'-P-C4' energy: -180.043 flat angles P-C4'-P energy: -127.919 tors. eta vs tors. theta energy: -224.785 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: 5 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2661.647514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.647514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.647514 (E_RNA) where: Base-Base interactions energy: -1858.051 where: short stacking energy: -757.998 Base-Backbone interact. energy: -6.826 local terms energy: -796.770587 where: bonds (distance) C4'-P energy: -149.261 bonds (distance) P-C4' energy: -148.160 flat angles C4'-P-C4' energy: -177.728 flat angles P-C4'-P energy: -107.461 tors. eta vs tors. theta energy: -214.160 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: 4 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2519.723250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.723250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.723250 (E_RNA) where: Base-Base interactions energy: -1738.446 where: short stacking energy: -726.554 Base-Backbone interact. energy: 1.234 local terms energy: -782.510421 where: bonds (distance) C4'-P energy: -154.425 bonds (distance) P-C4' energy: -158.263 flat angles C4'-P-C4' energy: -174.074 flat angles P-C4'-P energy: -103.446 tors. eta vs tors. theta energy: -192.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2463.985995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.985995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.985995 (E_RNA) where: Base-Base interactions energy: -1738.008 where: short stacking energy: -714.509 Base-Backbone interact. energy: -1.124 local terms energy: -724.854362 where: bonds (distance) C4'-P energy: -138.474 bonds (distance) P-C4' energy: -131.860 flat angles C4'-P-C4' energy: -165.740 flat angles P-C4'-P energy: -101.637 tors. eta vs tors. theta energy: -187.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -2300.593340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.593340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.593340 (E_RNA) where: Base-Base interactions energy: -1595.861 where: short stacking energy: -682.828 Base-Backbone interact. energy: 3.016 local terms energy: -707.748620 where: bonds (distance) C4'-P energy: -128.874 bonds (distance) P-C4' energy: -147.814 flat angles C4'-P-C4' energy: -157.017 flat angles P-C4'-P energy: -94.860 tors. eta vs tors. theta energy: -179.183 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: 6 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1930.439268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.439268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.439268 (E_RNA) where: Base-Base interactions energy: -1280.064 where: short stacking energy: -546.610 Base-Backbone interact. energy: -5.036 local terms energy: -645.339103 where: bonds (distance) C4'-P energy: -110.412 bonds (distance) P-C4' energy: -160.352 flat angles C4'-P-C4' energy: -139.816 flat angles P-C4'-P energy: -107.723 tors. eta vs tors. theta energy: -127.036 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: 2 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1890.600617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.600617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.600617 (E_RNA) where: Base-Base interactions energy: -1244.486 where: short stacking energy: -543.726 Base-Backbone interact. energy: -2.064 local terms energy: -644.051081 where: bonds (distance) C4'-P energy: -120.514 bonds (distance) P-C4' energy: -136.361 flat angles C4'-P-C4' energy: -161.863 flat angles P-C4'-P energy: -93.676 tors. eta vs tors. theta energy: -131.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1366.273235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.273235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.273235 (E_RNA) where: Base-Base interactions energy: -836.000 where: short stacking energy: -419.905 Base-Backbone interact. energy: -2.349 local terms energy: -527.924930 where: bonds (distance) C4'-P energy: -124.640 bonds (distance) P-C4' energy: -154.201 flat angles C4'-P-C4' energy: -111.536 flat angles P-C4'-P energy: -84.890 tors. eta vs tors. theta energy: -52.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -854.863295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.863295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.863295 (E_RNA) where: Base-Base interactions energy: -435.265 where: short stacking energy: -245.178 Base-Backbone interact. energy: -1.613 local terms energy: -417.985251 where: bonds (distance) C4'-P energy: -111.380 bonds (distance) P-C4' energy: -132.743 flat angles C4'-P-C4' energy: -107.896 flat angles P-C4'-P energy: -76.125 tors. eta vs tors. theta energy: 10.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -3059.526755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.526755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.526755 (E_RNA) where: Base-Base interactions energy: -2184.609 where: short stacking energy: -838.457 Base-Backbone interact. energy: 1.619 local terms energy: -876.537315 where: bonds (distance) C4'-P energy: -171.552 bonds (distance) P-C4' energy: -169.820 flat angles C4'-P-C4' energy: -187.379 flat angles P-C4'-P energy: -117.432 tors. eta vs tors. theta energy: -230.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2840.012870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.012870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.012870 (E_RNA) where: Base-Base interactions energy: -1983.069 where: short stacking energy: -816.619 Base-Backbone interact. energy: 0.530 local terms energy: -857.473778 where: bonds (distance) C4'-P energy: -145.057 bonds (distance) P-C4' energy: -164.449 flat angles C4'-P-C4' energy: -192.514 flat angles P-C4'-P energy: -123.585 tors. eta vs tors. theta energy: -231.870 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: 3, replica: 5 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2697.714301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.714301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.714301 (E_RNA) where: Base-Base interactions energy: -1861.899 where: short stacking energy: -787.906 Base-Backbone interact. energy: -8.015 local terms energy: -827.799603 where: bonds (distance) C4'-P energy: -162.963 bonds (distance) P-C4' energy: -167.330 flat angles C4'-P-C4' energy: -180.255 flat angles P-C4'-P energy: -109.093 tors. eta vs tors. theta energy: -208.159 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: 197 Temperature: 1.050000 Total energy: -2542.074742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.074742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.074742 (E_RNA) where: Base-Base interactions energy: -1741.269 where: short stacking energy: -768.342 Base-Backbone interact. energy: -3.747 local terms energy: -797.058371 where: bonds (distance) C4'-P energy: -130.352 bonds (distance) P-C4' energy: -172.560 flat angles C4'-P-C4' energy: -169.917 flat angles P-C4'-P energy: -115.882 tors. eta vs tors. theta energy: -208.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2438.409988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.409988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.409988 (E_RNA) where: Base-Base interactions energy: -1706.917 where: short stacking energy: -686.584 Base-Backbone interact. energy: -2.402 local terms energy: -729.091304 where: bonds (distance) C4'-P energy: -149.193 bonds (distance) P-C4' energy: -148.617 flat angles C4'-P-C4' energy: -150.862 flat angles P-C4'-P energy: -100.619 tors. eta vs tors. theta energy: -179.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -2267.793716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.793716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.793716 (E_RNA) where: Base-Base interactions energy: -1543.730 where: short stacking energy: -627.087 Base-Backbone interact. energy: -5.155 local terms energy: -718.908511 where: bonds (distance) C4'-P energy: -144.812 bonds (distance) P-C4' energy: -154.395 flat angles C4'-P-C4' energy: -158.706 flat angles P-C4'-P energy: -106.583 tors. eta vs tors. theta energy: -154.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1973.654992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.654992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.654992 (E_RNA) where: Base-Base interactions energy: -1310.988 where: short stacking energy: -593.113 Base-Backbone interact. energy: -3.942 local terms energy: -658.725239 where: bonds (distance) C4'-P energy: -132.252 bonds (distance) P-C4' energy: -132.202 flat angles C4'-P-C4' energy: -151.498 flat angles P-C4'-P energy: -98.201 tors. eta vs tors. theta energy: -144.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1851.121009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.121009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.121009 (E_RNA) where: Base-Base interactions energy: -1240.422 where: short stacking energy: -533.291 Base-Backbone interact. energy: -0.304 local terms energy: -610.394386 where: bonds (distance) C4'-P energy: -126.970 bonds (distance) P-C4' energy: -150.409 flat angles C4'-P-C4' energy: -131.687 flat angles P-C4'-P energy: -89.817 tors. eta vs tors. theta energy: -111.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1306.541925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.541925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.541925 (E_RNA) where: Base-Base interactions energy: -811.184 where: short stacking energy: -352.742 Base-Backbone interact. energy: 1.292 local terms energy: -496.649190 where: bonds (distance) C4'-P energy: -127.194 bonds (distance) P-C4' energy: -116.202 flat angles C4'-P-C4' energy: -116.657 flat angles P-C4'-P energy: -81.774 tors. eta vs tors. theta energy: -54.822 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: 10, replica: 10 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -868.467547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.467547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.467547 (E_RNA) where: Base-Base interactions energy: -433.790 where: short stacking energy: -235.753 Base-Backbone interact. energy: -3.724 local terms energy: -430.953449 where: bonds (distance) C4'-P energy: -111.366 bonds (distance) P-C4' energy: -151.816 flat angles C4'-P-C4' energy: -126.757 flat angles P-C4'-P energy: -58.752 tors. eta vs tors. theta energy: 17.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -3079.465802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.465802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.465802 (E_RNA) where: Base-Base interactions energy: -2188.292 where: short stacking energy: -849.452 Base-Backbone interact. energy: -7.558 local terms energy: -883.615777 where: bonds (distance) C4'-P energy: -168.096 bonds (distance) P-C4' energy: -160.631 flat angles C4'-P-C4' energy: -195.843 flat angles P-C4'-P energy: -130.448 tors. eta vs tors. theta energy: -228.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2830.543863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.543863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.543863 (E_RNA) where: Base-Base interactions energy: -1968.532 where: short stacking energy: -816.590 Base-Backbone interact. energy: -3.694 local terms energy: -858.318660 where: bonds (distance) C4'-P energy: -171.538 bonds (distance) P-C4' energy: -155.737 flat angles C4'-P-C4' energy: -185.435 flat angles P-C4'-P energy: -123.547 tors. eta vs tors. theta energy: -222.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2641.196700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.196700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.196700 (E_RNA) where: Base-Base interactions energy: -1810.617 where: short stacking energy: -753.053 Base-Backbone interact. energy: -0.784 local terms energy: -829.795887 where: bonds (distance) C4'-P energy: -165.548 bonds (distance) P-C4' energy: -167.096 flat angles C4'-P-C4' energy: -183.176 flat angles P-C4'-P energy: -111.335 tors. eta vs tors. theta energy: -202.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2513.120321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.120321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.120321 (E_RNA) where: Base-Base interactions energy: -1757.768 where: short stacking energy: -724.347 Base-Backbone interact. energy: -2.359 local terms energy: -752.992958 where: bonds (distance) C4'-P energy: -138.804 bonds (distance) P-C4' energy: -150.507 flat angles C4'-P-C4' energy: -166.910 flat angles P-C4'-P energy: -115.127 tors. eta vs tors. theta energy: -181.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2468.452255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.452255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.452255 (E_RNA) where: Base-Base interactions energy: -1686.584 where: short stacking energy: -696.808 Base-Backbone interact. energy: -3.385 local terms energy: -778.483031 where: bonds (distance) C4'-P energy: -148.134 bonds (distance) P-C4' energy: -164.374 flat angles C4'-P-C4' energy: -168.979 flat angles P-C4'-P energy: -113.596 tors. eta vs tors. theta energy: -183.400 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: 8 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -2343.982563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.982563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.982563 (E_RNA) where: Base-Base interactions energy: -1633.605 where: short stacking energy: -674.031 Base-Backbone interact. energy: -0.274 local terms energy: -710.104172 where: bonds (distance) C4'-P energy: -136.912 bonds (distance) P-C4' energy: -153.754 flat angles C4'-P-C4' energy: -151.253 flat angles P-C4'-P energy: -98.289 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: 7, replica: 6 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1987.534267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.534267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.534267 (E_RNA) where: Base-Base interactions energy: -1340.336 where: short stacking energy: -591.410 Base-Backbone interact. energy: 6.384 local terms energy: -653.581796 where: bonds (distance) C4'-P energy: -134.903 bonds (distance) P-C4' energy: -154.834 flat angles C4'-P-C4' energy: -142.543 flat angles P-C4'-P energy: -86.436 tors. eta vs tors. theta energy: -134.865 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: 198 Temperature: 1.250000 Total energy: -1826.027496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.027496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.027496 (E_RNA) where: Base-Base interactions energy: -1233.969 where: short stacking energy: -545.125 Base-Backbone interact. energy: -1.361 local terms energy: -590.696806 where: bonds (distance) C4'-P energy: -110.756 bonds (distance) P-C4' energy: -109.930 flat angles C4'-P-C4' energy: -148.321 flat angles P-C4'-P energy: -94.749 tors. eta vs tors. theta energy: -126.941 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: 198 Temperature: 1.300000 Total energy: -1323.090473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.090473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.090473 (E_RNA) where: Base-Base interactions energy: -837.241 where: short stacking energy: -385.975 Base-Backbone interact. energy: 2.465 local terms energy: -488.314644 where: bonds (distance) C4'-P energy: -125.809 bonds (distance) P-C4' energy: -146.558 flat angles C4'-P-C4' energy: -90.877 flat angles P-C4'-P energy: -83.622 tors. eta vs tors. theta energy: -41.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -902.239341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.239341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.239341 (E_RNA) where: Base-Base interactions energy: -452.384 where: short stacking energy: -234.758 Base-Backbone interact. energy: 1.744 local terms energy: -451.599269 where: bonds (distance) C4'-P energy: -110.255 bonds (distance) P-C4' energy: -163.096 flat angles C4'-P-C4' energy: -101.008 flat angles P-C4'-P energy: -79.354 tors. eta vs tors. theta energy: 2.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -3069.158005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.158005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.158005 (E_RNA) where: Base-Base interactions energy: -2176.983 where: short stacking energy: -872.315 Base-Backbone interact. energy: -4.835 local terms energy: -887.340339 where: bonds (distance) C4'-P energy: -166.959 bonds (distance) P-C4' energy: -169.906 flat angles C4'-P-C4' energy: -186.523 flat angles P-C4'-P energy: -123.146 tors. eta vs tors. theta energy: -240.806 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: 2, replica: 1 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2823.048391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.048391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.048391 (E_RNA) where: Base-Base interactions energy: -1975.765 where: short stacking energy: -805.305 Base-Backbone interact. energy: -4.752 local terms energy: -842.531601 where: bonds (distance) C4'-P energy: -152.141 bonds (distance) P-C4' energy: -165.339 flat angles C4'-P-C4' energy: -178.969 flat angles P-C4'-P energy: -116.614 tors. eta vs tors. theta energy: -229.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2692.521583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.521583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.521583 (E_RNA) where: Base-Base interactions energy: -1882.248 where: short stacking energy: -813.875 Base-Backbone interact. energy: -3.263 local terms energy: -807.011041 where: bonds (distance) C4'-P energy: -151.100 bonds (distance) P-C4' energy: -152.624 flat angles C4'-P-C4' energy: -184.099 flat angles P-C4'-P energy: -103.889 tors. eta vs tors. theta energy: -215.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2554.958893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.958893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.958893 (E_RNA) where: Base-Base interactions energy: -1780.731 where: short stacking energy: -756.240 Base-Backbone interact. energy: -4.228 local terms energy: -769.999813 where: bonds (distance) C4'-P energy: -142.085 bonds (distance) P-C4' energy: -149.833 flat angles C4'-P-C4' energy: -169.952 flat angles P-C4'-P energy: -93.839 tors. eta vs tors. theta energy: -214.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2465.518972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.518972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.518972 (E_RNA) where: Base-Base interactions energy: -1698.181 where: short stacking energy: -706.689 Base-Backbone interact. energy: -6.386 local terms energy: -760.951187 where: bonds (distance) C4'-P energy: -161.781 bonds (distance) P-C4' energy: -152.806 flat angles C4'-P-C4' energy: -151.009 flat angles P-C4'-P energy: -112.359 tors. eta vs tors. theta energy: -182.997 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: 8 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -2351.639171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.639171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.639171 (E_RNA) where: Base-Base interactions energy: -1626.216 where: short stacking energy: -654.683 Base-Backbone interact. energy: -1.209 local terms energy: -724.215053 where: bonds (distance) C4'-P energy: -132.087 bonds (distance) P-C4' energy: -156.937 flat angles C4'-P-C4' energy: -151.784 flat angles P-C4'-P energy: -97.591 tors. eta vs tors. theta energy: -185.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1994.430312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.430312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.430312 (E_RNA) where: Base-Base interactions energy: -1313.758 where: short stacking energy: -577.325 Base-Backbone interact. energy: -1.198 local terms energy: -679.474401 where: bonds (distance) C4'-P energy: -133.333 bonds (distance) P-C4' energy: -141.438 flat angles C4'-P-C4' energy: -161.675 flat angles P-C4'-P energy: -98.014 tors. eta vs tors. theta energy: -145.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1806.303514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.303514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.303514 (E_RNA) where: Base-Base interactions energy: -1212.283 where: short stacking energy: -521.406 Base-Backbone interact. energy: 1.714 local terms energy: -595.734192 where: bonds (distance) C4'-P energy: -128.967 bonds (distance) P-C4' energy: -124.611 flat angles C4'-P-C4' energy: -147.635 flat angles P-C4'-P energy: -76.045 tors. eta vs tors. theta energy: -118.476 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: 199 Temperature: 1.300000 Total energy: -1343.459184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.459184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.459184 (E_RNA) where: Base-Base interactions energy: -807.974 where: short stacking energy: -390.672 Base-Backbone interact. energy: 0.722 local terms energy: -536.207374 where: bonds (distance) C4'-P energy: -126.253 bonds (distance) P-C4' energy: -153.364 flat angles C4'-P-C4' energy: -116.893 flat angles P-C4'-P energy: -79.439 tors. eta vs tors. theta energy: -60.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -879.485223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.485223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.485223 (E_RNA) where: Base-Base interactions energy: -443.507 where: short stacking energy: -260.696 Base-Backbone interact. energy: -0.828 local terms energy: -435.150122 where: bonds (distance) C4'-P energy: -112.530 bonds (distance) P-C4' energy: -137.442 flat angles C4'-P-C4' energy: -135.139 flat angles P-C4'-P energy: -51.978 tors. eta vs tors. theta energy: 1.939 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: 200 Temperature: 0.900000 Total energy: -3089.935118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.935118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.935118 (E_RNA) where: Base-Base interactions energy: -2196.700 where: short stacking energy: -863.218 Base-Backbone interact. energy: -6.944 local terms energy: -886.291059 where: bonds (distance) C4'-P energy: -170.267 bonds (distance) P-C4' energy: -164.133 flat angles C4'-P-C4' energy: -183.449 flat angles P-C4'-P energy: -129.403 tors. eta vs tors. theta energy: -239.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2789.653002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.653002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.653002 (E_RNA) where: Base-Base interactions energy: -1924.909 where: short stacking energy: -824.749 Base-Backbone interact. energy: -2.375 local terms energy: -862.368310 where: bonds (distance) C4'-P energy: -154.122 bonds (distance) P-C4' energy: -156.921 flat angles C4'-P-C4' energy: -186.362 flat angles P-C4'-P energy: -132.068 tors. eta vs tors. theta energy: -232.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2669.174506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.174506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.174506 (E_RNA) where: Base-Base interactions energy: -1853.549 where: short stacking energy: -781.847 Base-Backbone interact. energy: -5.204 local terms energy: -810.421315 where: bonds (distance) C4'-P energy: -150.840 bonds (distance) P-C4' energy: -160.755 flat angles C4'-P-C4' energy: -183.476 flat angles P-C4'-P energy: -105.251 tors. eta vs tors. theta energy: -210.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2542.460662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.460662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.460662 (E_RNA) where: Base-Base interactions energy: -1747.451 where: short stacking energy: -743.530 Base-Backbone interact. energy: -3.812 local terms energy: -791.197339 where: bonds (distance) C4'-P energy: -144.548 bonds (distance) P-C4' energy: -158.933 flat angles C4'-P-C4' energy: -172.261 flat angles P-C4'-P energy: -106.657 tors. eta vs tors. theta energy: -208.799 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: 5, replica: 7 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2438.369690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.369690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.369690 (E_RNA) where: Base-Base interactions energy: -1661.550 where: short stacking energy: -684.609 Base-Backbone interact. energy: -3.388 local terms energy: -773.432256 where: bonds (distance) C4'-P energy: -142.993 bonds (distance) P-C4' energy: -154.631 flat angles C4'-P-C4' energy: -178.667 flat angles P-C4'-P energy: -112.658 tors. eta vs tors. theta energy: -184.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -2313.721661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.721661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.721661 (E_RNA) where: Base-Base interactions energy: -1597.504 where: short stacking energy: -689.766 Base-Backbone interact. energy: -2.909 local terms energy: -713.308940 where: bonds (distance) C4'-P energy: -121.580 bonds (distance) P-C4' energy: -169.404 flat angles C4'-P-C4' energy: -144.932 flat angles P-C4'-P energy: -95.421 tors. eta vs tors. theta energy: -181.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -2040.267160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.267160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.267160 (E_RNA) where: Base-Base interactions energy: -1401.608 where: short stacking energy: -584.221 Base-Backbone interact. energy: -2.427 local terms energy: -636.231808 where: bonds (distance) C4'-P energy: -128.473 bonds (distance) P-C4' energy: -137.735 flat angles C4'-P-C4' energy: -142.904 flat angles P-C4'-P energy: -86.015 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: 8, replica: 2 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1866.885572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.885572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.885572 (E_RNA) where: Base-Base interactions energy: -1230.531 where: short stacking energy: -574.114 Base-Backbone interact. energy: -4.737 local terms energy: -631.617932 where: bonds (distance) C4'-P energy: -144.000 bonds (distance) P-C4' energy: -130.859 flat angles C4'-P-C4' energy: -146.313 flat angles P-C4'-P energy: -81.030 tors. eta vs tors. theta energy: -129.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1355.734549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.734549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.734549 (E_RNA) where: Base-Base interactions energy: -811.897 where: short stacking energy: -372.173 Base-Backbone interact. energy: 1.882 local terms energy: -545.719823 where: bonds (distance) C4'-P energy: -122.008 bonds (distance) P-C4' energy: -142.240 flat angles C4'-P-C4' energy: -141.424 flat angles P-C4'-P energy: -90.259 tors. eta vs tors. theta energy: -49.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -847.606848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.606848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.606848 (E_RNA) where: Base-Base interactions energy: -422.618 where: short stacking energy: -255.990 Base-Backbone interact. energy: 1.966 local terms energy: -426.954842 where: bonds (distance) C4'-P energy: -128.331 bonds (distance) P-C4' energy: -145.908 flat angles C4'-P-C4' energy: -105.486 flat angles P-C4'-P energy: -56.527 tors. eta vs tors. theta energy: 9.296 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: 201 Temperature: 0.900000 Total energy: -3105.913382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.913382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.913382 (E_RNA) where: Base-Base interactions energy: -2206.953 where: short stacking energy: -852.995 Base-Backbone interact. energy: -1.700 local terms energy: -897.260870 where: bonds (distance) C4'-P energy: -167.401 bonds (distance) P-C4' energy: -179.024 flat angles C4'-P-C4' energy: -185.949 flat angles P-C4'-P energy: -124.594 tors. eta vs tors. theta energy: -240.294 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: 1 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2814.224132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.224132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.224132 (E_RNA) where: Base-Base interactions energy: -1942.047 where: short stacking energy: -802.153 Base-Backbone interact. energy: -1.799 local terms energy: -870.377605 where: bonds (distance) C4'-P energy: -158.833 bonds (distance) P-C4' energy: -182.981 flat angles C4'-P-C4' energy: -176.831 flat angles P-C4'-P energy: -119.547 tors. eta vs tors. theta energy: -232.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2654.328988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.328988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.328988 (E_RNA) where: Base-Base interactions energy: -1848.334 where: short stacking energy: -755.142 Base-Backbone interact. energy: -3.454 local terms energy: -802.540659 where: bonds (distance) C4'-P energy: -152.002 bonds (distance) P-C4' energy: -160.766 flat angles C4'-P-C4' energy: -169.920 flat angles P-C4'-P energy: -113.399 tors. eta vs tors. theta energy: -206.453 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: 4 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2542.964892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.964892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.964892 (E_RNA) where: Base-Base interactions energy: -1745.419 where: short stacking energy: -738.670 Base-Backbone interact. energy: -1.958 local terms energy: -795.587428 where: bonds (distance) C4'-P energy: -167.077 bonds (distance) P-C4' energy: -160.768 flat angles C4'-P-C4' energy: -156.811 flat angles P-C4'-P energy: -116.611 tors. eta vs tors. theta energy: -194.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2473.920435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.920435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.920435 (E_RNA) where: Base-Base interactions energy: -1699.085 where: short stacking energy: -699.373 Base-Backbone interact. energy: 1.287 local terms energy: -776.122864 where: bonds (distance) C4'-P energy: -137.630 bonds (distance) P-C4' energy: -170.175 flat angles C4'-P-C4' energy: -165.060 flat angles P-C4'-P energy: -110.647 tors. eta vs tors. theta energy: -192.611 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: 8 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -2295.751649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.751649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.751649 (E_RNA) where: Base-Base interactions energy: -1590.050 where: short stacking energy: -651.245 Base-Backbone interact. energy: 4.139 local terms energy: -709.840085 where: bonds (distance) C4'-P energy: -135.894 bonds (distance) P-C4' energy: -149.359 flat angles C4'-P-C4' energy: -169.203 flat angles P-C4'-P energy: -84.143 tors. eta vs tors. theta energy: -171.242 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: 201 Temperature: 1.200000 Total energy: -2018.971268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.971268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.971268 (E_RNA) where: Base-Base interactions energy: -1336.236 where: short stacking energy: -562.490 Base-Backbone interact. energy: -4.843 local terms energy: -677.892344 where: bonds (distance) C4'-P energy: -140.865 bonds (distance) P-C4' energy: -156.364 flat angles C4'-P-C4' energy: -161.007 flat angles P-C4'-P energy: -86.621 tors. eta vs tors. theta energy: -133.036 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: 2 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1794.486516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.486516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.486516 (E_RNA) where: Base-Base interactions energy: -1189.492 where: short stacking energy: -498.717 Base-Backbone interact. energy: 1.800 local terms energy: -606.794210 where: bonds (distance) C4'-P energy: -143.017 bonds (distance) P-C4' energy: -136.596 flat angles C4'-P-C4' energy: -142.936 flat angles P-C4'-P energy: -87.143 tors. eta vs tors. theta energy: -97.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1328.814363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.814363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.814363 (E_RNA) where: Base-Base interactions energy: -762.564 where: short stacking energy: -360.748 Base-Backbone interact. energy: -1.943 local terms energy: -564.307050 where: bonds (distance) C4'-P energy: -113.343 bonds (distance) P-C4' energy: -175.126 flat angles C4'-P-C4' energy: -124.974 flat angles P-C4'-P energy: -85.377 tors. eta vs tors. theta energy: -65.487 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: 201 Temperature: 1.350000 Total energy: -795.066716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.066716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.066716 (E_RNA) where: Base-Base interactions energy: -392.141 where: short stacking energy: -219.358 Base-Backbone interact. energy: -0.497 local terms energy: -402.428109 where: bonds (distance) C4'-P energy: -133.563 bonds (distance) P-C4' energy: -137.713 flat angles C4'-P-C4' energy: -97.959 flat angles P-C4'-P energy: -68.986 tors. eta vs tors. theta energy: 35.793 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: 3 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -3073.491010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.491010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.491010 (E_RNA) where: Base-Base interactions energy: -2166.185 where: short stacking energy: -873.576 Base-Backbone interact. energy: -5.637 local terms energy: -901.668894 where: bonds (distance) C4'-P energy: -156.009 bonds (distance) P-C4' energy: -182.603 flat angles C4'-P-C4' energy: -185.686 flat angles P-C4'-P energy: -128.542 tors. eta vs tors. theta energy: -248.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2818.180860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.180860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.180860 (E_RNA) where: Base-Base interactions energy: -1961.712 where: short stacking energy: -821.855 Base-Backbone interact. energy: -2.041 local terms energy: -854.428059 where: bonds (distance) C4'-P energy: -166.830 bonds (distance) P-C4' energy: -166.402 flat angles C4'-P-C4' energy: -185.140 flat angles P-C4'-P energy: -117.365 tors. eta vs tors. theta energy: -218.692 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: 5 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2666.987129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.987129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.987129 (E_RNA) where: Base-Base interactions energy: -1867.232 where: short stacking energy: -779.900 Base-Backbone interact. energy: -1.886 local terms energy: -797.869272 where: bonds (distance) C4'-P energy: -153.395 bonds (distance) P-C4' energy: -157.360 flat angles C4'-P-C4' energy: -166.732 flat angles P-C4'-P energy: -118.666 tors. eta vs tors. theta energy: -201.716 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: 202 Temperature: 1.050000 Total energy: -2516.649921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.649921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.649921 (E_RNA) where: Base-Base interactions energy: -1724.785 where: short stacking energy: -736.755 Base-Backbone interact. energy: -4.714 local terms energy: -787.150965 where: bonds (distance) C4'-P energy: -146.373 bonds (distance) P-C4' energy: -165.235 flat angles C4'-P-C4' energy: -165.772 flat angles P-C4'-P energy: -110.028 tors. eta vs tors. theta energy: -199.743 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: 5, replica: 7 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2488.274500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.274500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.274500 (E_RNA) where: Base-Base interactions energy: -1712.459 where: short stacking energy: -719.845 Base-Backbone interact. energy: -3.718 local terms energy: -772.098036 where: bonds (distance) C4'-P energy: -142.393 bonds (distance) P-C4' energy: -153.075 flat angles C4'-P-C4' energy: -175.545 flat angles P-C4'-P energy: -106.859 tors. eta vs tors. theta energy: -194.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -2318.673233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.673233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.673233 (E_RNA) where: Base-Base interactions energy: -1595.132 where: short stacking energy: -650.252 Base-Backbone interact. energy: -4.846 local terms energy: -719.099351 where: bonds (distance) C4'-P energy: -142.090 bonds (distance) P-C4' energy: -145.457 flat angles C4'-P-C4' energy: -157.500 flat angles P-C4'-P energy: -106.287 tors. eta vs tors. theta energy: -167.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.404 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -2025.464570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.464570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.464570 (E_RNA) where: Base-Base interactions energy: -1354.671 where: short stacking energy: -600.120 Base-Backbone interact. energy: -1.897 local terms energy: -668.895823 where: bonds (distance) C4'-P energy: -117.706 bonds (distance) P-C4' energy: -141.013 flat angles C4'-P-C4' energy: -155.661 flat angles P-C4'-P energy: -120.190 tors. eta vs tors. theta energy: -134.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1795.755468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.755468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.755468 (E_RNA) where: Base-Base interactions energy: -1179.805 where: short stacking energy: -505.885 Base-Backbone interact. energy: -0.162 local terms energy: -615.787677 where: bonds (distance) C4'-P energy: -123.707 bonds (distance) P-C4' energy: -152.685 flat angles C4'-P-C4' energy: -134.117 flat angles P-C4'-P energy: -97.673 tors. eta vs tors. theta energy: -107.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1273.131659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.131659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.131659 (E_RNA) where: Base-Base interactions energy: -761.433 where: short stacking energy: -350.903 Base-Backbone interact. energy: 2.180 local terms energy: -513.877999 where: bonds (distance) C4'-P energy: -113.877 bonds (distance) P-C4' energy: -157.312 flat angles C4'-P-C4' energy: -110.754 flat angles P-C4'-P energy: -84.472 tors. eta vs tors. theta energy: -47.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -824.446704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.446704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.446704 (E_RNA) where: Base-Base interactions energy: -382.739 where: short stacking energy: -234.002 Base-Backbone interact. energy: 6.488 local terms energy: -448.196170 where: bonds (distance) C4'-P energy: -134.527 bonds (distance) P-C4' energy: -136.855 flat angles C4'-P-C4' energy: -100.841 flat angles P-C4'-P energy: -76.740 tors. eta vs tors. theta energy: 0.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -3082.650307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.650307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.650307 (E_RNA) where: Base-Base interactions energy: -2193.368 where: short stacking energy: -904.515 Base-Backbone interact. energy: -5.161 local terms energy: -884.121554 where: bonds (distance) C4'-P energy: -154.219 bonds (distance) P-C4' energy: -173.669 flat angles C4'-P-C4' energy: -182.318 flat angles P-C4'-P energy: -130.461 tors. eta vs tors. theta energy: -243.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2835.219343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.219343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.219343 (E_RNA) where: Base-Base interactions energy: -1989.725 where: short stacking energy: -832.392 Base-Backbone interact. energy: -2.689 local terms energy: -842.805633 where: bonds (distance) C4'-P energy: -154.109 bonds (distance) P-C4' energy: -165.289 flat angles C4'-P-C4' energy: -169.696 flat angles P-C4'-P energy: -123.379 tors. eta vs tors. theta energy: -230.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2684.499413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.499413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.499413 (E_RNA) where: Base-Base interactions energy: -1886.136 where: short stacking energy: -796.849 Base-Backbone interact. energy: -4.726 local terms energy: -793.637582 where: bonds (distance) C4'-P energy: -152.262 bonds (distance) P-C4' energy: -158.431 flat angles C4'-P-C4' energy: -181.204 flat angles P-C4'-P energy: -98.041 tors. eta vs tors. theta energy: -203.700 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: 4 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2480.045006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.045006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.045006 (E_RNA) where: Base-Base interactions energy: -1698.581 where: short stacking energy: -727.803 Base-Backbone interact. energy: -2.138 local terms energy: -779.326182 where: bonds (distance) C4'-P energy: -145.752 bonds (distance) P-C4' energy: -162.033 flat angles C4'-P-C4' energy: -170.841 flat angles P-C4'-P energy: -110.911 tors. eta vs tors. theta energy: -189.789 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: 5, replica: 7 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2458.547797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.547797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.547797 (E_RNA) where: Base-Base interactions energy: -1694.189 where: short stacking energy: -692.105 Base-Backbone interact. energy: -4.400 local terms energy: -759.958618 where: bonds (distance) C4'-P energy: -129.787 bonds (distance) P-C4' energy: -165.239 flat angles C4'-P-C4' energy: -171.010 flat angles P-C4'-P energy: -112.642 tors. eta vs tors. theta energy: -181.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -2304.358859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.358859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.358859 (E_RNA) where: Base-Base interactions energy: -1593.665 where: short stacking energy: -678.630 Base-Backbone interact. energy: -0.573 local terms energy: -710.120655 where: bonds (distance) C4'-P energy: -135.846 bonds (distance) P-C4' energy: -147.076 flat angles C4'-P-C4' energy: -158.401 flat angles P-C4'-P energy: -95.708 tors. eta vs tors. theta energy: -173.090 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: 203 Temperature: 1.200000 Total energy: -2074.990281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.990281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.990281 (E_RNA) where: Base-Base interactions energy: -1389.133 where: short stacking energy: -626.037 Base-Backbone interact. energy: 0.848 local terms energy: -686.705218 where: bonds (distance) C4'-P energy: -122.048 bonds (distance) P-C4' energy: -147.525 flat angles C4'-P-C4' energy: -151.667 flat angles P-C4'-P energy: -106.719 tors. eta vs tors. theta energy: -158.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1818.485071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.485071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.485071 (E_RNA) where: Base-Base interactions energy: -1176.628 where: short stacking energy: -529.373 Base-Backbone interact. energy: -2.220 local terms energy: -639.637880 where: bonds (distance) C4'-P energy: -134.641 bonds (distance) P-C4' energy: -152.281 flat angles C4'-P-C4' energy: -151.150 flat angles P-C4'-P energy: -78.157 tors. eta vs tors. theta energy: -123.409 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: 203 Temperature: 1.300000 Total energy: -1266.291977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.291977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.291977 (E_RNA) where: Base-Base interactions energy: -739.304 where: short stacking energy: -357.575 Base-Backbone interact. energy: 5.264 local terms energy: -532.251995 where: bonds (distance) C4'-P energy: -135.848 bonds (distance) P-C4' energy: -147.594 flat angles C4'-P-C4' energy: -121.264 flat angles P-C4'-P energy: -72.103 tors. eta vs tors. theta energy: -55.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -851.117904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.117904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.117904 (E_RNA) where: Base-Base interactions energy: -407.532 where: short stacking energy: -219.315 Base-Backbone interact. energy: -1.644 local terms energy: -441.941968 where: bonds (distance) C4'-P energy: -121.421 bonds (distance) P-C4' energy: -146.698 flat angles C4'-P-C4' energy: -110.709 flat angles P-C4'-P energy: -76.932 tors. eta vs tors. theta energy: 13.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -3105.902613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.902613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.902613 (E_RNA) where: Base-Base interactions energy: -2207.750 where: short stacking energy: -882.359 Base-Backbone interact. energy: -5.761 local terms energy: -892.391472 where: bonds (distance) C4'-P energy: -166.065 bonds (distance) P-C4' energy: -167.262 flat angles C4'-P-C4' energy: -190.920 flat angles P-C4'-P energy: -127.750 tors. eta vs tors. theta energy: -240.394 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: 204 Temperature: 0.950000 Total energy: -2832.138318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.138318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.138318 (E_RNA) where: Base-Base interactions energy: -1952.474 where: short stacking energy: -828.988 Base-Backbone interact. energy: -4.068 local terms energy: -875.596798 where: bonds (distance) C4'-P energy: -170.713 bonds (distance) P-C4' energy: -166.279 flat angles C4'-P-C4' energy: -178.879 flat angles P-C4'-P energy: -121.902 tors. eta vs tors. theta energy: -237.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2621.951486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.951486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.951486 (E_RNA) where: Base-Base interactions energy: -1825.394 where: short stacking energy: -741.268 Base-Backbone interact. energy: -1.957 local terms energy: -794.601092 where: bonds (distance) C4'-P energy: -146.700 bonds (distance) P-C4' energy: -150.465 flat angles C4'-P-C4' energy: -178.133 flat angles P-C4'-P energy: -119.033 tors. eta vs tors. theta energy: -200.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2454.753412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.753412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.753412 (E_RNA) where: Base-Base interactions energy: -1672.661 where: short stacking energy: -688.810 Base-Backbone interact. energy: -3.438 local terms energy: -778.653910 where: bonds (distance) C4'-P energy: -152.081 bonds (distance) P-C4' energy: -162.301 flat angles C4'-P-C4' energy: -169.596 flat angles P-C4'-P energy: -121.223 tors. eta vs tors. theta energy: -173.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2386.524147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.524147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.524147 (E_RNA) where: Base-Base interactions energy: -1620.793 where: short stacking energy: -687.364 Base-Backbone interact. energy: -5.726 local terms energy: -760.723821 where: bonds (distance) C4'-P energy: -148.513 bonds (distance) P-C4' energy: -153.606 flat angles C4'-P-C4' energy: -167.642 flat angles P-C4'-P energy: -112.272 tors. eta vs tors. theta energy: -178.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.719 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -2378.450570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.450570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.450570 (E_RNA) where: Base-Base interactions energy: -1665.573 where: short stacking energy: -697.752 Base-Backbone interact. energy: -0.748 local terms energy: -712.129691 where: bonds (distance) C4'-P energy: -118.809 bonds (distance) P-C4' energy: -157.335 flat angles C4'-P-C4' energy: -156.709 flat angles P-C4'-P energy: -94.410 tors. eta vs tors. theta energy: -184.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -2026.233467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.233467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.233467 (E_RNA) where: Base-Base interactions energy: -1352.051 where: short stacking energy: -585.607 Base-Backbone interact. energy: 3.367 local terms energy: -677.549958 where: bonds (distance) C4'-P energy: -129.449 bonds (distance) P-C4' energy: -140.348 flat angles C4'-P-C4' energy: -144.963 flat angles P-C4'-P energy: -112.328 tors. eta vs tors. theta energy: -150.462 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: 2 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1715.257618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.257618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.257618 (E_RNA) where: Base-Base interactions energy: -1121.654 where: short stacking energy: -492.851 Base-Backbone interact. energy: -0.914 local terms energy: -592.688854 where: bonds (distance) C4'-P energy: -126.316 bonds (distance) P-C4' energy: -145.257 flat angles C4'-P-C4' energy: -141.390 flat angles P-C4'-P energy: -80.598 tors. eta vs tors. theta energy: -99.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1333.415028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.415028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.415028 (E_RNA) where: Base-Base interactions energy: -809.499 where: short stacking energy: -398.226 Base-Backbone interact. energy: 1.831 local terms energy: -525.746295 where: bonds (distance) C4'-P energy: -139.384 bonds (distance) P-C4' energy: -133.497 flat angles C4'-P-C4' energy: -124.791 flat angles P-C4'-P energy: -65.426 tors. eta vs tors. theta energy: -62.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -864.257548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.257548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.257548 (E_RNA) where: Base-Base interactions energy: -428.286 where: short stacking energy: -239.066 Base-Backbone interact. energy: 3.045 local terms energy: -439.016158 where: bonds (distance) C4'-P energy: -100.819 bonds (distance) P-C4' energy: -142.283 flat angles C4'-P-C4' energy: -118.700 flat angles P-C4'-P energy: -80.030 tors. eta vs tors. theta energy: 2.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -3092.908358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.908358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.908358 (E_RNA) where: Base-Base interactions energy: -2216.361 where: short stacking energy: -887.236 Base-Backbone interact. energy: -3.751 local terms energy: -872.795833 where: bonds (distance) C4'-P energy: -154.420 bonds (distance) P-C4' energy: -180.203 flat angles C4'-P-C4' energy: -180.637 flat angles P-C4'-P energy: -113.952 tors. eta vs tors. theta energy: -243.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2852.616265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.616265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.616265 (E_RNA) where: Base-Base interactions energy: -1992.453 where: short stacking energy: -849.817 Base-Backbone interact. energy: -2.269 local terms energy: -857.894256 where: bonds (distance) C4'-P energy: -151.978 bonds (distance) P-C4' energy: -158.417 flat angles C4'-P-C4' energy: -194.465 flat angles P-C4'-P energy: -115.801 tors. eta vs tors. theta energy: -237.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2696.409572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.409572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.409572 (E_RNA) where: Base-Base interactions energy: -1886.686 where: short stacking energy: -764.408 Base-Backbone interact. energy: -1.461 local terms energy: -808.262327 where: bonds (distance) C4'-P energy: -155.679 bonds (distance) P-C4' energy: -167.910 flat angles C4'-P-C4' energy: -172.769 flat angles P-C4'-P energy: -106.736 tors. eta vs tors. theta energy: -205.168 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: 4, replica: 4 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2482.541024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.541024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.541024 (E_RNA) where: Base-Base interactions energy: -1696.590 where: short stacking energy: -708.606 Base-Backbone interact. energy: -5.622 local terms energy: -780.328578 where: bonds (distance) C4'-P energy: -145.116 bonds (distance) P-C4' energy: -172.344 flat angles C4'-P-C4' energy: -168.450 flat angles P-C4'-P energy: -111.959 tors. eta vs tors. theta energy: -182.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2417.406228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.406228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.406228 (E_RNA) where: Base-Base interactions energy: -1646.445 where: short stacking energy: -688.242 Base-Backbone interact. energy: -4.015 local terms energy: -767.038094 where: bonds (distance) C4'-P energy: -157.576 bonds (distance) P-C4' energy: -151.573 flat angles C4'-P-C4' energy: -162.870 flat angles P-C4'-P energy: -107.347 tors. eta vs tors. theta energy: -187.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.092 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -2362.360645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.360645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.360645 (E_RNA) where: Base-Base interactions energy: -1622.708 where: short stacking energy: -658.342 Base-Backbone interact. energy: -0.133 local terms energy: -739.519583 where: bonds (distance) C4'-P energy: -143.607 bonds (distance) P-C4' energy: -142.448 flat angles C4'-P-C4' energy: -170.336 flat angles P-C4'-P energy: -108.415 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: 7, replica: 6 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -2011.439043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.439043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.439043 (E_RNA) where: Base-Base interactions energy: -1365.437 where: short stacking energy: -565.464 Base-Backbone interact. energy: -2.236 local terms energy: -643.766215 where: bonds (distance) C4'-P energy: -145.613 bonds (distance) P-C4' energy: -150.178 flat angles C4'-P-C4' energy: -124.775 flat angles P-C4'-P energy: -100.753 tors. eta vs tors. theta energy: -122.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1700.192885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.192885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.192885 (E_RNA) where: Base-Base interactions energy: -1102.649 where: short stacking energy: -514.164 Base-Backbone interact. energy: 0.161 local terms energy: -597.704978 where: bonds (distance) C4'-P energy: -130.476 bonds (distance) P-C4' energy: -131.541 flat angles C4'-P-C4' energy: -139.165 flat angles P-C4'-P energy: -78.038 tors. eta vs tors. theta energy: -118.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1354.749905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.749905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.749905 (E_RNA) where: Base-Base interactions energy: -797.036 where: short stacking energy: -386.012 Base-Backbone interact. energy: 3.095 local terms energy: -560.808032 where: bonds (distance) C4'-P energy: -140.699 bonds (distance) P-C4' energy: -156.159 flat angles C4'-P-C4' energy: -131.429 flat angles P-C4'-P energy: -90.345 tors. eta vs tors. theta energy: -42.176 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: 10 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -867.977527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.977527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.977527 (E_RNA) where: Base-Base interactions energy: -415.768 where: short stacking energy: -240.733 Base-Backbone interact. energy: 3.249 local terms energy: -455.459362 where: bonds (distance) C4'-P energy: -142.306 bonds (distance) P-C4' energy: -146.594 flat angles C4'-P-C4' energy: -108.983 flat angles P-C4'-P energy: -65.700 tors. eta vs tors. theta energy: 8.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -3072.234520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.234520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.234520 (E_RNA) where: Base-Base interactions energy: -2196.408 where: short stacking energy: -888.450 Base-Backbone interact. energy: -4.522 local terms energy: -871.304171 where: bonds (distance) C4'-P energy: -147.359 bonds (distance) P-C4' energy: -170.359 flat angles C4'-P-C4' energy: -184.102 flat angles P-C4'-P energy: -132.274 tors. eta vs tors. theta energy: -237.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2797.748958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.748958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.748958 (E_RNA) where: Base-Base interactions energy: -1941.925 where: short stacking energy: -819.693 Base-Backbone interact. energy: -5.430 local terms energy: -850.393897 where: bonds (distance) C4'-P energy: -161.552 bonds (distance) P-C4' energy: -166.425 flat angles C4'-P-C4' energy: -179.562 flat angles P-C4'-P energy: -121.683 tors. eta vs tors. theta energy: -221.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2656.518143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.518143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.518143 (E_RNA) where: Base-Base interactions energy: -1842.425 where: short stacking energy: -760.248 Base-Backbone interact. energy: -4.285 local terms energy: -809.807498 where: bonds (distance) C4'-P energy: -168.848 bonds (distance) P-C4' energy: -156.939 flat angles C4'-P-C4' energy: -165.664 flat angles P-C4'-P energy: -122.345 tors. eta vs tors. theta energy: -196.012 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: 4 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2505.342960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.342960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.342960 (E_RNA) where: Base-Base interactions energy: -1740.237 where: short stacking energy: -765.195 Base-Backbone interact. energy: -2.265 local terms energy: -762.841306 where: bonds (distance) C4'-P energy: -132.953 bonds (distance) P-C4' energy: -157.725 flat angles C4'-P-C4' energy: -169.026 flat angles P-C4'-P energy: -109.737 tors. eta vs tors. theta energy: -193.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2426.616786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.616786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.616786 (E_RNA) where: Base-Base interactions energy: -1664.748 where: short stacking energy: -673.911 Base-Backbone interact. energy: -1.892 local terms energy: -759.977270 where: bonds (distance) C4'-P energy: -144.682 bonds (distance) P-C4' energy: -143.992 flat angles C4'-P-C4' energy: -158.393 flat angles P-C4'-P energy: -108.730 tors. eta vs tors. theta energy: -204.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -2372.016964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.016964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.016964 (E_RNA) where: Base-Base interactions energy: -1673.637 where: short stacking energy: -686.692 Base-Backbone interact. energy: -4.693 local terms energy: -693.686184 where: bonds (distance) C4'-P energy: -128.324 bonds (distance) P-C4' energy: -150.303 flat angles C4'-P-C4' energy: -157.237 flat angles P-C4'-P energy: -84.689 tors. eta vs tors. theta energy: -173.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -2013.073058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.073058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.073058 (E_RNA) where: Base-Base interactions energy: -1346.887 where: short stacking energy: -561.610 Base-Backbone interact. energy: -6.475 local terms energy: -659.711143 where: bonds (distance) C4'-P energy: -141.313 bonds (distance) P-C4' energy: -141.466 flat angles C4'-P-C4' energy: -167.177 flat angles P-C4'-P energy: -86.904 tors. eta vs tors. theta energy: -122.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1728.785583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.785583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.785583 (E_RNA) where: Base-Base interactions energy: -1128.109 where: short stacking energy: -524.838 Base-Backbone interact. energy: -2.146 local terms energy: -598.531010 where: bonds (distance) C4'-P energy: -122.008 bonds (distance) P-C4' energy: -151.165 flat angles C4'-P-C4' energy: -134.605 flat angles P-C4'-P energy: -83.641 tors. eta vs tors. theta energy: -107.112 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: 206 Temperature: 1.300000 Total energy: -1388.847692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.847692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.847692 (E_RNA) where: Base-Base interactions energy: -840.048 where: short stacking energy: -388.076 Base-Backbone interact. energy: -1.492 local terms energy: -547.307854 where: bonds (distance) C4'-P energy: -129.124 bonds (distance) P-C4' energy: -147.690 flat angles C4'-P-C4' energy: -127.119 flat angles P-C4'-P energy: -79.496 tors. eta vs tors. theta energy: -63.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -861.882114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.882114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.882114 (E_RNA) where: Base-Base interactions energy: -419.334 where: short stacking energy: -263.016 Base-Backbone interact. energy: 9.074 local terms energy: -451.622493 where: bonds (distance) C4'-P energy: -140.381 bonds (distance) P-C4' energy: -132.890 flat angles C4'-P-C4' energy: -118.490 flat angles P-C4'-P energy: -77.292 tors. eta vs tors. theta energy: 17.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -3072.747748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.747748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.747748 (E_RNA) where: Base-Base interactions energy: -2186.563 where: short stacking energy: -879.861 Base-Backbone interact. energy: -4.110 local terms energy: -882.075434 where: bonds (distance) C4'-P energy: -160.390 bonds (distance) P-C4' energy: -167.213 flat angles C4'-P-C4' energy: -184.952 flat angles P-C4'-P energy: -131.051 tors. eta vs tors. theta energy: -238.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2793.790901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.790901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.790901 (E_RNA) where: Base-Base interactions energy: -1935.313 where: short stacking energy: -803.983 Base-Backbone interact. energy: -5.938 local terms energy: -852.539900 where: bonds (distance) C4'-P energy: -156.277 bonds (distance) P-C4' energy: -159.848 flat angles C4'-P-C4' energy: -174.118 flat angles P-C4'-P energy: -134.119 tors. eta vs tors. theta energy: -228.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2680.337468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.337468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.337468 (E_RNA) where: Base-Base interactions energy: -1861.360 where: short stacking energy: -751.779 Base-Backbone interact. energy: 4.040 local terms energy: -823.017657 where: bonds (distance) C4'-P energy: -156.879 bonds (distance) P-C4' energy: -177.470 flat angles C4'-P-C4' energy: -173.462 flat angles P-C4'-P energy: -106.573 tors. eta vs tors. theta energy: -208.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2498.108692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.108692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.108692 (E_RNA) where: Base-Base interactions energy: -1720.658 where: short stacking energy: -748.232 Base-Backbone interact. energy: -3.072 local terms energy: -774.378873 where: bonds (distance) C4'-P energy: -134.780 bonds (distance) P-C4' energy: -155.411 flat angles C4'-P-C4' energy: -166.133 flat angles P-C4'-P energy: -116.915 tors. eta vs tors. theta energy: -201.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2469.695074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.695074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.695074 (E_RNA) where: Base-Base interactions energy: -1697.404 where: short stacking energy: -710.463 Base-Backbone interact. energy: -0.112 local terms energy: -772.179103 where: bonds (distance) C4'-P energy: -144.789 bonds (distance) P-C4' energy: -164.198 flat angles C4'-P-C4' energy: -175.358 flat angles P-C4'-P energy: -87.881 tors. eta vs tors. theta energy: -199.953 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: 8 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -2303.302518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.302518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.302518 (E_RNA) where: Base-Base interactions energy: -1634.839 where: short stacking energy: -656.336 Base-Backbone interact. energy: -4.406 local terms energy: -664.057309 where: bonds (distance) C4'-P energy: -113.721 bonds (distance) P-C4' energy: -159.046 flat angles C4'-P-C4' energy: -153.929 flat angles P-C4'-P energy: -86.580 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: 7, replica: 6 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -2082.903857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.903857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.903857 (E_RNA) where: Base-Base interactions energy: -1388.776 where: short stacking energy: -580.219 Base-Backbone interact. energy: -2.972 local terms energy: -691.155753 where: bonds (distance) C4'-P energy: -146.980 bonds (distance) P-C4' energy: -144.627 flat angles C4'-P-C4' energy: -140.984 flat angles P-C4'-P energy: -107.321 tors. eta vs tors. theta energy: -151.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1763.938218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.938218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.938218 (E_RNA) where: Base-Base interactions energy: -1132.790 where: short stacking energy: -529.785 Base-Backbone interact. energy: 1.483 local terms energy: -632.631290 where: bonds (distance) C4'-P energy: -129.648 bonds (distance) P-C4' energy: -162.554 flat angles C4'-P-C4' energy: -141.201 flat angles P-C4'-P energy: -75.736 tors. eta vs tors. theta energy: -123.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1320.568225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.568225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.568225 (E_RNA) where: Base-Base interactions energy: -788.675 where: short stacking energy: -377.256 Base-Backbone interact. energy: -0.313 local terms energy: -531.580342 where: bonds (distance) C4'-P energy: -139.637 bonds (distance) P-C4' energy: -150.826 flat angles C4'-P-C4' energy: -141.675 flat angles P-C4'-P energy: -66.985 tors. eta vs tors. theta energy: -32.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -891.744714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.744714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.744714 (E_RNA) where: Base-Base interactions energy: -461.223 where: short stacking energy: -238.355 Base-Backbone interact. energy: -0.154 local terms energy: -430.367248 where: bonds (distance) C4'-P energy: -131.976 bonds (distance) P-C4' energy: -119.724 flat angles C4'-P-C4' energy: -114.849 flat angles P-C4'-P energy: -64.898 tors. eta vs tors. theta energy: 1.080 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: 3 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -3074.362920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.362920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.362920 (E_RNA) where: Base-Base interactions energy: -2191.287 where: short stacking energy: -873.904 Base-Backbone interact. energy: -7.205 local terms energy: -875.871085 where: bonds (distance) C4'-P energy: -168.530 bonds (distance) P-C4' energy: -158.170 flat angles C4'-P-C4' energy: -193.466 flat angles P-C4'-P energy: -114.706 tors. eta vs tors. theta energy: -240.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2826.543091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.543091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.543091 (E_RNA) where: Base-Base interactions energy: -1977.830 where: short stacking energy: -868.964 Base-Backbone interact. energy: -3.942 local terms energy: -844.771065 where: bonds (distance) C4'-P energy: -147.599 bonds (distance) P-C4' energy: -158.922 flat angles C4'-P-C4' energy: -177.881 flat angles P-C4'-P energy: -120.788 tors. eta vs tors. theta energy: -239.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2703.722025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.722025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.722025 (E_RNA) where: Base-Base interactions energy: -1885.517 where: short stacking energy: -791.362 Base-Backbone interact. energy: -1.774 local terms energy: -816.431575 where: bonds (distance) C4'-P energy: -150.559 bonds (distance) P-C4' energy: -179.894 flat angles C4'-P-C4' energy: -158.396 flat angles P-C4'-P energy: -120.092 tors. eta vs tors. theta energy: -207.490 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: 4 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2469.305412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.305412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.305412 (E_RNA) where: Base-Base interactions energy: -1690.740 where: short stacking energy: -734.105 Base-Backbone interact. energy: -4.388 local terms energy: -774.177463 where: bonds (distance) C4'-P energy: -147.310 bonds (distance) P-C4' energy: -151.827 flat angles C4'-P-C4' energy: -165.868 flat angles P-C4'-P energy: -113.196 tors. eta vs tors. theta energy: -195.977 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: 5, replica: 7 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2503.731992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.731992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.731992 (E_RNA) where: Base-Base interactions energy: -1721.112 where: short stacking energy: -730.811 Base-Backbone interact. energy: -3.874 local terms energy: -778.746272 where: bonds (distance) C4'-P energy: -150.795 bonds (distance) P-C4' energy: -154.321 flat angles C4'-P-C4' energy: -163.909 flat angles P-C4'-P energy: -115.267 tors. eta vs tors. theta energy: -194.454 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: 8 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -2276.278950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.278950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.278950 (E_RNA) where: Base-Base interactions energy: -1570.921 where: short stacking energy: -681.463 Base-Backbone interact. energy: -3.564 local terms energy: -701.794459 where: bonds (distance) C4'-P energy: -113.008 bonds (distance) P-C4' energy: -118.607 flat angles C4'-P-C4' energy: -173.220 flat angles P-C4'-P energy: -108.730 tors. eta vs tors. theta energy: -188.229 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: 7, replica: 6 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -2022.834551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.834551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.834551 (E_RNA) where: Base-Base interactions energy: -1366.028 where: short stacking energy: -570.765 Base-Backbone interact. energy: 0.054 local terms energy: -656.860708 where: bonds (distance) C4'-P energy: -128.594 bonds (distance) P-C4' energy: -151.988 flat angles C4'-P-C4' energy: -134.009 flat angles P-C4'-P energy: -103.672 tors. eta vs tors. theta energy: -138.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1776.264780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.264780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.264780 (E_RNA) where: Base-Base interactions energy: -1144.371 where: short stacking energy: -482.043 Base-Backbone interact. energy: 4.098 local terms energy: -635.992222 where: bonds (distance) C4'-P energy: -130.864 bonds (distance) P-C4' energy: -145.908 flat angles C4'-P-C4' energy: -148.529 flat angles P-C4'-P energy: -95.972 tors. eta vs tors. theta energy: -114.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1275.363717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.363717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.363717 (E_RNA) where: Base-Base interactions energy: -746.770 where: short stacking energy: -377.089 Base-Backbone interact. energy: -0.193 local terms energy: -528.400487 where: bonds (distance) C4'-P energy: -102.572 bonds (distance) P-C4' energy: -166.170 flat angles C4'-P-C4' energy: -117.109 flat angles P-C4'-P energy: -93.630 tors. eta vs tors. theta energy: -48.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -894.795401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.795401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.795401 (E_RNA) where: Base-Base interactions energy: -408.196 where: short stacking energy: -206.130 Base-Backbone interact. energy: -0.005 local terms energy: -486.593562 where: bonds (distance) C4'-P energy: -124.485 bonds (distance) P-C4' energy: -136.217 flat angles C4'-P-C4' energy: -147.457 flat angles P-C4'-P energy: -75.636 tors. eta vs tors. theta energy: -2.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -3085.464597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.464597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.464597 (E_RNA) where: Base-Base interactions energy: -2201.169 where: short stacking energy: -866.759 Base-Backbone interact. energy: -0.527 local terms energy: -883.768589 where: bonds (distance) C4'-P energy: -164.301 bonds (distance) P-C4' energy: -164.136 flat angles C4'-P-C4' energy: -188.640 flat angles P-C4'-P energy: -130.727 tors. eta vs tors. theta energy: -235.965 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: 1 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2848.854298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.854298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.854298 (E_RNA) where: Base-Base interactions energy: -1988.444 where: short stacking energy: -823.929 Base-Backbone interact. energy: -2.518 local terms energy: -857.891502 where: bonds (distance) C4'-P energy: -150.627 bonds (distance) P-C4' energy: -175.568 flat angles C4'-P-C4' energy: -187.433 flat angles P-C4'-P energy: -129.332 tors. eta vs tors. theta energy: -214.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2701.002823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.002823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.002823 (E_RNA) where: Base-Base interactions energy: -1888.202 where: short stacking energy: -786.518 Base-Backbone interact. energy: -3.025 local terms energy: -809.775715 where: bonds (distance) C4'-P energy: -151.604 bonds (distance) P-C4' energy: -149.728 flat angles C4'-P-C4' energy: -175.380 flat angles P-C4'-P energy: -119.141 tors. eta vs tors. theta energy: -213.922 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: 4, replica: 7 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2563.748687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.748687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.748687 (E_RNA) where: Base-Base interactions energy: -1774.721 where: short stacking energy: -747.508 Base-Backbone interact. energy: -0.628 local terms energy: -788.399368 where: bonds (distance) C4'-P energy: -147.019 bonds (distance) P-C4' energy: -151.886 flat angles C4'-P-C4' energy: -160.975 flat angles P-C4'-P energy: -115.254 tors. eta vs tors. theta energy: -213.266 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: 4 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2484.130649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.130649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.130649 (E_RNA) where: Base-Base interactions energy: -1729.185 where: short stacking energy: -715.147 Base-Backbone interact. energy: -4.361 local terms energy: -750.584397 where: bonds (distance) C4'-P energy: -137.677 bonds (distance) P-C4' energy: -172.892 flat angles C4'-P-C4' energy: -166.350 flat angles P-C4'-P energy: -87.342 tors. eta vs tors. theta energy: -186.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -2343.316034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.316034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.316034 (E_RNA) where: Base-Base interactions energy: -1627.922 where: short stacking energy: -679.291 Base-Backbone interact. energy: -2.155 local terms energy: -713.239037 where: bonds (distance) C4'-P energy: -122.174 bonds (distance) P-C4' energy: -128.797 flat angles C4'-P-C4' energy: -163.027 flat angles P-C4'-P energy: -109.810 tors. eta vs tors. theta energy: -189.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1986.509790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.509790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.509790 (E_RNA) where: Base-Base interactions energy: -1327.879 where: short stacking energy: -581.402 Base-Backbone interact. energy: -3.045 local terms energy: -655.585909 where: bonds (distance) C4'-P energy: -116.965 bonds (distance) P-C4' energy: -149.901 flat angles C4'-P-C4' energy: -139.691 flat angles P-C4'-P energy: -106.446 tors. eta vs tors. theta energy: -142.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1754.283386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.283386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.283386 (E_RNA) where: Base-Base interactions energy: -1152.113 where: short stacking energy: -525.284 Base-Backbone interact. energy: 3.806 local terms energy: -605.976538 where: bonds (distance) C4'-P energy: -109.178 bonds (distance) P-C4' energy: -162.435 flat angles C4'-P-C4' energy: -131.526 flat angles P-C4'-P energy: -88.707 tors. eta vs tors. theta energy: -114.130 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: 209 Temperature: 1.300000 Total energy: -1264.028390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.028390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.028390 (E_RNA) where: Base-Base interactions energy: -789.234 where: short stacking energy: -374.723 Base-Backbone interact. energy: 2.613 local terms energy: -477.407745 where: bonds (distance) C4'-P energy: -121.749 bonds (distance) P-C4' energy: -123.727 flat angles C4'-P-C4' energy: -125.352 flat angles P-C4'-P energy: -59.922 tors. eta vs tors. theta energy: -46.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -869.460049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.460049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.460049 (E_RNA) where: Base-Base interactions energy: -444.364 where: short stacking energy: -239.266 Base-Backbone interact. energy: 2.912 local terms energy: -428.007599 where: bonds (distance) C4'-P energy: -122.328 bonds (distance) P-C4' energy: -148.848 flat angles C4'-P-C4' energy: -105.821 flat angles P-C4'-P energy: -57.398 tors. eta vs tors. theta energy: 6.388 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: 3 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -3056.132309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.132309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.132309 (E_RNA) where: Base-Base interactions energy: -2177.475 where: short stacking energy: -870.651 Base-Backbone interact. energy: -5.865 local terms energy: -872.792561 where: bonds (distance) C4'-P energy: -161.567 bonds (distance) P-C4' energy: -172.192 flat angles C4'-P-C4' energy: -183.976 flat angles P-C4'-P energy: -119.999 tors. eta vs tors. theta energy: -235.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2821.361602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.361602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.361602 (E_RNA) where: Base-Base interactions energy: -1956.328 where: short stacking energy: -827.548 Base-Backbone interact. energy: -3.985 local terms energy: -861.048731 where: bonds (distance) C4'-P energy: -149.882 bonds (distance) P-C4' energy: -165.690 flat angles C4'-P-C4' energy: -183.638 flat angles P-C4'-P energy: -124.641 tors. eta vs tors. theta energy: -237.198 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: 5 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2672.299433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.299433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.299433 (E_RNA) where: Base-Base interactions energy: -1885.801 where: short stacking energy: -753.448 Base-Backbone interact. energy: 4.756 local terms energy: -791.254364 where: bonds (distance) C4'-P energy: -149.299 bonds (distance) P-C4' energy: -155.386 flat angles C4'-P-C4' energy: -172.667 flat angles P-C4'-P energy: -108.417 tors. eta vs tors. theta energy: -205.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2576.981112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.981112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.981112 (E_RNA) where: Base-Base interactions energy: -1773.592 where: short stacking energy: -740.907 Base-Backbone interact. energy: -2.032 local terms energy: -801.356984 where: bonds (distance) C4'-P energy: -157.690 bonds (distance) P-C4' energy: -168.769 flat angles C4'-P-C4' energy: -168.381 flat angles P-C4'-P energy: -114.126 tors. eta vs tors. theta energy: -192.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2474.113742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.113742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.113742 (E_RNA) where: Base-Base interactions energy: -1718.821 where: short stacking energy: -729.802 Base-Backbone interact. energy: -3.297 local terms energy: -751.995576 where: bonds (distance) C4'-P energy: -145.574 bonds (distance) P-C4' energy: -147.417 flat angles C4'-P-C4' energy: -160.797 flat angles P-C4'-P energy: -104.248 tors. eta vs tors. theta energy: -193.959 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: 8 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -2357.719098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.719098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.719098 (E_RNA) where: Base-Base interactions energy: -1619.718 where: short stacking energy: -691.596 Base-Backbone interact. energy: -6.762 local terms energy: -731.238194 where: bonds (distance) C4'-P energy: -146.230 bonds (distance) P-C4' energy: -147.247 flat angles C4'-P-C4' energy: -154.623 flat angles P-C4'-P energy: -101.712 tors. eta vs tors. theta energy: -181.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -2000.607113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.607113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.607113 (E_RNA) where: Base-Base interactions energy: -1310.134 where: short stacking energy: -549.954 Base-Backbone interact. energy: -0.687 local terms energy: -689.785292 where: bonds (distance) C4'-P energy: -138.218 bonds (distance) P-C4' energy: -163.958 flat angles C4'-P-C4' energy: -154.096 flat angles P-C4'-P energy: -106.719 tors. eta vs tors. theta energy: -126.795 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: 8, replica: 2 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1744.506188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.506188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.506188 (E_RNA) where: Base-Base interactions energy: -1164.066 where: short stacking energy: -498.512 Base-Backbone interact. energy: -1.505 local terms energy: -578.935327 where: bonds (distance) C4'-P energy: -129.371 bonds (distance) P-C4' energy: -137.424 flat angles C4'-P-C4' energy: -138.592 flat angles P-C4'-P energy: -66.868 tors. eta vs tors. theta energy: -106.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1258.884130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.884130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.884130 (E_RNA) where: Base-Base interactions energy: -734.074 where: short stacking energy: -356.220 Base-Backbone interact. energy: -0.693 local terms energy: -524.117142 where: bonds (distance) C4'-P energy: -135.441 bonds (distance) P-C4' energy: -117.182 flat angles C4'-P-C4' energy: -126.658 flat angles P-C4'-P energy: -87.392 tors. eta vs tors. theta energy: -57.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -904.459360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.459360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.459360 (E_RNA) where: Base-Base interactions energy: -454.037 where: short stacking energy: -241.878 Base-Backbone interact. energy: -4.228 local terms energy: -446.194407 where: bonds (distance) C4'-P energy: -130.103 bonds (distance) P-C4' energy: -135.166 flat angles C4'-P-C4' energy: -113.970 flat angles P-C4'-P energy: -64.759 tors. eta vs tors. theta energy: -2.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -3098.854337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.854337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.854337 (E_RNA) where: Base-Base interactions energy: -2219.681 where: short stacking energy: -869.961 Base-Backbone interact. energy: -1.862 local terms energy: -877.310827 where: bonds (distance) C4'-P energy: -161.120 bonds (distance) P-C4' energy: -166.562 flat angles C4'-P-C4' energy: -171.794 flat angles P-C4'-P energy: -136.357 tors. eta vs tors. theta energy: -241.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2825.006093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.006093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.006093 (E_RNA) where: Base-Base interactions energy: -1966.767 where: short stacking energy: -845.090 Base-Backbone interact. energy: -3.235 local terms energy: -855.004412 where: bonds (distance) C4'-P energy: -165.333 bonds (distance) P-C4' energy: -155.461 flat angles C4'-P-C4' energy: -186.275 flat angles P-C4'-P energy: -116.613 tors. eta vs tors. theta energy: -231.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2708.705467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.705467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.705467 (E_RNA) where: Base-Base interactions energy: -1888.257 where: short stacking energy: -752.771 Base-Backbone interact. energy: -3.542 local terms energy: -816.906142 where: bonds (distance) C4'-P energy: -153.297 bonds (distance) P-C4' energy: -168.096 flat angles C4'-P-C4' energy: -178.912 flat angles P-C4'-P energy: -119.982 tors. eta vs tors. theta energy: -196.618 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: 7 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2536.132589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.132589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.132589 (E_RNA) where: Base-Base interactions energy: -1732.740 where: short stacking energy: -737.928 Base-Backbone interact. energy: -2.771 local terms energy: -800.621425 where: bonds (distance) C4'-P energy: -140.512 bonds (distance) P-C4' energy: -159.365 flat angles C4'-P-C4' energy: -174.166 flat angles P-C4'-P energy: -124.222 tors. eta vs tors. theta energy: -202.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2445.811775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.811775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.811775 (E_RNA) where: Base-Base interactions energy: -1709.340 where: short stacking energy: -699.607 Base-Backbone interact. energy: -2.191 local terms energy: -734.280812 where: bonds (distance) C4'-P energy: -148.430 bonds (distance) P-C4' energy: -149.618 flat angles C4'-P-C4' energy: -159.329 flat angles P-C4'-P energy: -98.383 tors. eta vs tors. theta energy: -178.521 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: 8 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -2385.994492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.994492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.994492 (E_RNA) where: Base-Base interactions energy: -1637.109 where: short stacking energy: -692.150 Base-Backbone interact. energy: -5.878 local terms energy: -743.007003 where: bonds (distance) C4'-P energy: -145.205 bonds (distance) P-C4' energy: -158.674 flat angles C4'-P-C4' energy: -157.751 flat angles P-C4'-P energy: -102.314 tors. eta vs tors. theta energy: -179.063 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: 6 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -2014.286766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.286766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.286766 (E_RNA) where: Base-Base interactions energy: -1360.432 where: short stacking energy: -597.490 Base-Backbone interact. energy: -3.760 local terms energy: -650.094675 where: bonds (distance) C4'-P energy: -101.842 bonds (distance) P-C4' energy: -153.997 flat angles C4'-P-C4' energy: -166.220 flat angles P-C4'-P energy: -93.721 tors. eta vs tors. theta energy: -134.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1781.611258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.611258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.611258 (E_RNA) where: Base-Base interactions energy: -1149.556 where: short stacking energy: -510.921 Base-Backbone interact. energy: -4.041 local terms energy: -628.013398 where: bonds (distance) C4'-P energy: -145.959 bonds (distance) P-C4' energy: -131.505 flat angles C4'-P-C4' energy: -153.475 flat angles P-C4'-P energy: -74.930 tors. eta vs tors. theta energy: -122.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1257.862523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.862523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.862523 (E_RNA) where: Base-Base interactions energy: -731.685 where: short stacking energy: -364.187 Base-Backbone interact. energy: -0.428 local terms energy: -525.749191 where: bonds (distance) C4'-P energy: -113.386 bonds (distance) P-C4' energy: -153.898 flat angles C4'-P-C4' energy: -113.186 flat angles P-C4'-P energy: -98.300 tors. eta vs tors. theta energy: -46.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -903.345323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.345323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.345323 (E_RNA) where: Base-Base interactions energy: -462.076 where: short stacking energy: -254.257 Base-Backbone interact. energy: 5.396 local terms energy: -446.665198 where: bonds (distance) C4'-P energy: -119.183 bonds (distance) P-C4' energy: -136.989 flat angles C4'-P-C4' energy: -119.501 flat angles P-C4'-P energy: -69.646 tors. eta vs tors. theta energy: -1.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -3085.794507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.794507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.794507 (E_RNA) where: Base-Base interactions energy: -2181.769 where: short stacking energy: -868.760 Base-Backbone interact. energy: -5.375 local terms energy: -898.650452 where: bonds (distance) C4'-P energy: -155.204 bonds (distance) P-C4' energy: -178.383 flat angles C4'-P-C4' energy: -190.737 flat angles P-C4'-P energy: -130.660 tors. eta vs tors. theta energy: -243.665 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: 212 Temperature: 0.950000 Total energy: -2839.480424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.480424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.480424 (E_RNA) where: Base-Base interactions energy: -1975.991 where: short stacking energy: -845.243 Base-Backbone interact. energy: -2.698 local terms energy: -860.791495 where: bonds (distance) C4'-P energy: -156.142 bonds (distance) P-C4' energy: -171.042 flat angles C4'-P-C4' energy: -173.392 flat angles P-C4'-P energy: -129.627 tors. eta vs tors. theta energy: -230.589 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: 5 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2678.598839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.598839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.598839 (E_RNA) where: Base-Base interactions energy: -1894.109 where: short stacking energy: -814.649 Base-Backbone interact. energy: 0.376 local terms energy: -784.866523 where: bonds (distance) C4'-P energy: -123.621 bonds (distance) P-C4' energy: -154.148 flat angles C4'-P-C4' energy: -163.852 flat angles P-C4'-P energy: -123.734 tors. eta vs tors. theta energy: -219.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2558.032149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.032149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.032149 (E_RNA) where: Base-Base interactions energy: -1777.020 where: short stacking energy: -730.530 Base-Backbone interact. energy: -4.274 local terms energy: -776.737931 where: bonds (distance) C4'-P energy: -143.574 bonds (distance) P-C4' energy: -158.225 flat angles C4'-P-C4' energy: -159.055 flat angles P-C4'-P energy: -111.474 tors. eta vs tors. theta energy: -204.411 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: 4 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2449.704120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.704120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.704120 (E_RNA) where: Base-Base interactions energy: -1688.348 where: short stacking energy: -690.234 Base-Backbone interact. energy: -3.464 local terms energy: -757.891446 where: bonds (distance) C4'-P energy: -136.005 bonds (distance) P-C4' energy: -153.944 flat angles C4'-P-C4' energy: -158.530 flat angles P-C4'-P energy: -123.519 tors. eta vs tors. theta energy: -185.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -2319.834919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.834919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.834919 (E_RNA) where: Base-Base interactions energy: -1572.545 where: short stacking energy: -652.398 Base-Backbone interact. energy: -3.586 local terms energy: -743.704046 where: bonds (distance) C4'-P energy: -139.667 bonds (distance) P-C4' energy: -137.949 flat angles C4'-P-C4' energy: -167.299 flat angles P-C4'-P energy: -106.627 tors. eta vs tors. theta energy: -192.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -2050.149315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.149315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.149315 (E_RNA) where: Base-Base interactions energy: -1392.788 where: short stacking energy: -599.927 Base-Backbone interact. energy: 1.698 local terms energy: -659.059458 where: bonds (distance) C4'-P energy: -135.481 bonds (distance) P-C4' energy: -128.338 flat angles C4'-P-C4' energy: -159.464 flat angles P-C4'-P energy: -91.533 tors. eta vs tors. theta energy: -144.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1751.094108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.094108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.094108 (E_RNA) where: Base-Base interactions energy: -1168.842 where: short stacking energy: -519.739 Base-Backbone interact. energy: -0.649 local terms energy: -581.603084 where: bonds (distance) C4'-P energy: -111.806 bonds (distance) P-C4' energy: -128.487 flat angles C4'-P-C4' energy: -152.839 flat angles P-C4'-P energy: -76.415 tors. eta vs tors. theta energy: -112.057 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: 9, replica: 9 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1308.927028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.927028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.927028 (E_RNA) where: Base-Base interactions energy: -770.309 where: short stacking energy: -369.508 Base-Backbone interact. energy: -2.581 local terms energy: -536.037397 where: bonds (distance) C4'-P energy: -128.347 bonds (distance) P-C4' energy: -138.438 flat angles C4'-P-C4' energy: -126.669 flat angles P-C4'-P energy: -79.186 tors. eta vs tors. theta energy: -63.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -902.776141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.776141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.776141 (E_RNA) where: Base-Base interactions energy: -441.441 where: short stacking energy: -238.784 Base-Backbone interact. energy: -2.028 local terms energy: -459.307493 where: bonds (distance) C4'-P energy: -145.535 bonds (distance) P-C4' energy: -117.961 flat angles C4'-P-C4' energy: -128.469 flat angles P-C4'-P energy: -77.893 tors. eta vs tors. theta energy: 10.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -3086.482881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.482881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.482881 (E_RNA) where: Base-Base interactions energy: -2181.841 where: short stacking energy: -883.857 Base-Backbone interact. energy: -3.653 local terms energy: -900.989409 where: bonds (distance) C4'-P energy: -163.853 bonds (distance) P-C4' energy: -173.300 flat angles C4'-P-C4' energy: -190.098 flat angles P-C4'-P energy: -126.564 tors. eta vs tors. theta energy: -247.174 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: 2, replica: 1 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2824.437559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.437559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.437559 (E_RNA) where: Base-Base interactions energy: -1955.968 where: short stacking energy: -840.567 Base-Backbone interact. energy: -6.268 local terms energy: -862.201883 where: bonds (distance) C4'-P energy: -162.510 bonds (distance) P-C4' energy: -162.022 flat angles C4'-P-C4' energy: -184.011 flat angles P-C4'-P energy: -124.630 tors. eta vs tors. theta energy: -229.030 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: 3, replica: 5 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2674.685893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.685893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.685893 (E_RNA) where: Base-Base interactions energy: -1863.212 where: short stacking energy: -773.476 Base-Backbone interact. energy: -4.187 local terms energy: -807.286413 where: bonds (distance) C4'-P energy: -151.317 bonds (distance) P-C4' energy: -152.969 flat angles C4'-P-C4' energy: -167.665 flat angles P-C4'-P energy: -129.492 tors. eta vs tors. theta energy: -205.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2574.691021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.691021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.691021 (E_RNA) where: Base-Base interactions energy: -1773.950 where: short stacking energy: -757.020 Base-Backbone interact. energy: -1.699 local terms energy: -799.042902 where: bonds (distance) C4'-P energy: -137.773 bonds (distance) P-C4' energy: -164.476 flat angles C4'-P-C4' energy: -170.963 flat angles P-C4'-P energy: -116.950 tors. eta vs tors. theta energy: -208.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2466.346791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.346791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.346791 (E_RNA) where: Base-Base interactions energy: -1703.284 where: short stacking energy: -695.670 Base-Backbone interact. energy: -0.875 local terms energy: -762.187424 where: bonds (distance) C4'-P energy: -143.164 bonds (distance) P-C4' energy: -162.211 flat angles C4'-P-C4' energy: -169.587 flat angles P-C4'-P energy: -113.153 tors. eta vs tors. theta energy: -174.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -2347.372408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.372408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.372408 (E_RNA) where: Base-Base interactions energy: -1618.910 where: short stacking energy: -698.849 Base-Backbone interact. energy: 0.028 local terms energy: -728.490595 where: bonds (distance) C4'-P energy: -118.025 bonds (distance) P-C4' energy: -149.905 flat angles C4'-P-C4' energy: -172.533 flat angles P-C4'-P energy: -108.054 tors. eta vs tors. theta energy: -179.974 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: 7, replica: 6 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -2031.397756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.397756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.397756 (E_RNA) where: Base-Base interactions energy: -1377.443 where: short stacking energy: -596.437 Base-Backbone interact. energy: -3.544 local terms energy: -650.410928 where: bonds (distance) C4'-P energy: -144.246 bonds (distance) P-C4' energy: -117.468 flat angles C4'-P-C4' energy: -151.939 flat angles P-C4'-P energy: -89.193 tors. eta vs tors. theta energy: -147.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1757.873205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.873205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.873205 (E_RNA) where: Base-Base interactions energy: -1162.920 where: short stacking energy: -504.745 Base-Backbone interact. energy: -2.616 local terms energy: -592.337657 where: bonds (distance) C4'-P energy: -128.229 bonds (distance) P-C4' energy: -136.300 flat angles C4'-P-C4' energy: -139.082 flat angles P-C4'-P energy: -88.979 tors. eta vs tors. theta energy: -99.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1304.396950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.396950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.396950 (E_RNA) where: Base-Base interactions energy: -760.331 where: short stacking energy: -384.114 Base-Backbone interact. energy: -3.465 local terms energy: -540.600909 where: bonds (distance) C4'-P energy: -138.886 bonds (distance) P-C4' energy: -147.636 flat angles C4'-P-C4' energy: -135.521 flat angles P-C4'-P energy: -63.239 tors. eta vs tors. theta energy: -55.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -984.330483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.330483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.330483 (E_RNA) where: Base-Base interactions energy: -527.740 where: short stacking energy: -290.245 Base-Backbone interact. energy: -1.304 local terms energy: -455.285870 where: bonds (distance) C4'-P energy: -144.519 bonds (distance) P-C4' energy: -145.800 flat angles C4'-P-C4' energy: -101.636 flat angles P-C4'-P energy: -63.370 tors. eta vs tors. theta energy: 0.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -3050.461298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.461298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.461298 (E_RNA) where: Base-Base interactions energy: -2167.728 where: short stacking energy: -880.316 Base-Backbone interact. energy: -3.528 local terms energy: -879.206062 where: bonds (distance) C4'-P energy: -156.174 bonds (distance) P-C4' energy: -170.066 flat angles C4'-P-C4' energy: -187.243 flat angles P-C4'-P energy: -131.340 tors. eta vs tors. theta energy: -234.383 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: 1 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2787.220048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.220048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.220048 (E_RNA) where: Base-Base interactions energy: -1956.103 where: short stacking energy: -809.200 Base-Backbone interact. energy: 1.287 local terms energy: -832.404254 where: bonds (distance) C4'-P energy: -155.486 bonds (distance) P-C4' energy: -154.818 flat angles C4'-P-C4' energy: -180.646 flat angles P-C4'-P energy: -118.241 tors. eta vs tors. theta energy: -223.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2693.560621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.560621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.560621 (E_RNA) where: Base-Base interactions energy: -1871.448 where: short stacking energy: -774.046 Base-Backbone interact. energy: -2.695 local terms energy: -819.418040 where: bonds (distance) C4'-P energy: -145.399 bonds (distance) P-C4' energy: -160.412 flat angles C4'-P-C4' energy: -185.629 flat angles P-C4'-P energy: -121.140 tors. eta vs tors. theta energy: -206.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2564.770642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.770642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.770642 (E_RNA) where: Base-Base interactions energy: -1739.397 where: short stacking energy: -754.890 Base-Backbone interact. energy: -3.968 local terms energy: -821.406182 where: bonds (distance) C4'-P energy: -132.186 bonds (distance) P-C4' energy: -191.397 flat angles C4'-P-C4' energy: -157.707 flat angles P-C4'-P energy: -120.594 tors. eta vs tors. theta energy: -219.524 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: 4 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2456.388972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.388972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.388972 (E_RNA) where: Base-Base interactions energy: -1695.533 where: short stacking energy: -718.794 Base-Backbone interact. energy: -2.611 local terms energy: -758.244678 where: bonds (distance) C4'-P energy: -138.540 bonds (distance) P-C4' energy: -155.050 flat angles C4'-P-C4' energy: -166.913 flat angles P-C4'-P energy: -99.539 tors. eta vs tors. theta energy: -198.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -2336.970479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.970479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.970479 (E_RNA) where: Base-Base interactions energy: -1592.721 where: short stacking energy: -656.010 Base-Backbone interact. energy: -0.977 local terms energy: -743.272448 where: bonds (distance) C4'-P energy: -134.046 bonds (distance) P-C4' energy: -169.251 flat angles C4'-P-C4' energy: -158.864 flat angles P-C4'-P energy: -90.003 tors. eta vs tors. theta energy: -191.109 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: 6 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -2007.432704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.432704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.432704 (E_RNA) where: Base-Base interactions energy: -1318.107 where: short stacking energy: -569.242 Base-Backbone interact. energy: -4.049 local terms energy: -685.276672 where: bonds (distance) C4'-P energy: -132.295 bonds (distance) P-C4' energy: -155.400 flat angles C4'-P-C4' energy: -149.922 flat angles P-C4'-P energy: -95.144 tors. eta vs tors. theta energy: -152.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1808.386182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.386182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.386182 (E_RNA) where: Base-Base interactions energy: -1210.896 where: short stacking energy: -532.224 Base-Backbone interact. energy: -0.429 local terms energy: -597.061374 where: bonds (distance) C4'-P energy: -119.978 bonds (distance) P-C4' energy: -141.871 flat angles C4'-P-C4' energy: -131.049 flat angles P-C4'-P energy: -84.129 tors. eta vs tors. theta energy: -120.034 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: 9, replica: 9 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1235.606290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.606290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.606290 (E_RNA) where: Base-Base interactions energy: -739.161 where: short stacking energy: -344.182 Base-Backbone interact. energy: -0.203 local terms energy: -496.242822 where: bonds (distance) C4'-P energy: -140.779 bonds (distance) P-C4' energy: -148.743 flat angles C4'-P-C4' energy: -130.831 flat angles P-C4'-P energy: -34.565 tors. eta vs tors. theta energy: -41.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -999.840704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.840704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.840704 (E_RNA) where: Base-Base interactions energy: -537.367 where: short stacking energy: -284.218 Base-Backbone interact. energy: 10.461 local terms energy: -472.934824 where: bonds (distance) C4'-P energy: -101.737 bonds (distance) P-C4' energy: -148.819 flat angles C4'-P-C4' energy: -138.537 flat angles P-C4'-P energy: -81.646 tors. eta vs tors. theta energy: -2.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -3054.841826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.841826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.841826 (E_RNA) where: Base-Base interactions energy: -2150.330 where: short stacking energy: -852.042 Base-Backbone interact. energy: -4.194 local terms energy: -900.318402 where: bonds (distance) C4'-P energy: -154.323 bonds (distance) P-C4' energy: -163.983 flat angles C4'-P-C4' energy: -184.723 flat angles P-C4'-P energy: -153.015 tors. eta vs tors. theta energy: -244.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2833.903083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.903083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.903083 (E_RNA) where: Base-Base interactions energy: -1935.585 where: short stacking energy: -838.080 Base-Backbone interact. energy: -1.999 local terms energy: -896.319105 where: bonds (distance) C4'-P energy: -158.993 bonds (distance) P-C4' energy: -169.918 flat angles C4'-P-C4' energy: -194.802 flat angles P-C4'-P energy: -140.812 tors. eta vs tors. theta energy: -231.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2733.908517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.908517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.908517 (E_RNA) where: Base-Base interactions energy: -1901.471 where: short stacking energy: -799.346 Base-Backbone interact. energy: -1.302 local terms energy: -831.135351 where: bonds (distance) C4'-P energy: -153.147 bonds (distance) P-C4' energy: -155.370 flat angles C4'-P-C4' energy: -183.536 flat angles P-C4'-P energy: -119.821 tors. eta vs tors. theta energy: -219.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2521.010451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.010451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.010451 (E_RNA) where: Base-Base interactions energy: -1750.648 where: short stacking energy: -718.222 Base-Backbone interact. energy: -1.222 local terms energy: -769.141318 where: bonds (distance) C4'-P energy: -137.038 bonds (distance) P-C4' energy: -166.517 flat angles C4'-P-C4' energy: -153.904 flat angles P-C4'-P energy: -111.909 tors. eta vs tors. theta energy: -199.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2457.672910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.672910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.672910 (E_RNA) where: Base-Base interactions energy: -1701.501 where: short stacking energy: -691.117 Base-Backbone interact. energy: -2.628 local terms energy: -753.543899 where: bonds (distance) C4'-P energy: -137.769 bonds (distance) P-C4' energy: -161.234 flat angles C4'-P-C4' energy: -154.592 flat angles P-C4'-P energy: -111.902 tors. eta vs tors. theta energy: -188.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -2331.682507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.682507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.682507 (E_RNA) where: Base-Base interactions energy: -1585.297 where: short stacking energy: -671.125 Base-Backbone interact. energy: -3.360 local terms energy: -743.025335 where: bonds (distance) C4'-P energy: -137.703 bonds (distance) P-C4' energy: -161.633 flat angles C4'-P-C4' energy: -167.571 flat angles P-C4'-P energy: -91.227 tors. eta vs tors. theta energy: -184.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -2026.117447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.117447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.117447 (E_RNA) where: Base-Base interactions energy: -1367.408 where: short stacking energy: -574.717 Base-Backbone interact. energy: -1.331 local terms energy: -657.377952 where: bonds (distance) C4'-P energy: -135.986 bonds (distance) P-C4' energy: -152.054 flat angles C4'-P-C4' energy: -157.726 flat angles P-C4'-P energy: -89.533 tors. eta vs tors. theta energy: -122.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1834.253613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.253613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.253613 (E_RNA) where: Base-Base interactions energy: -1205.476 where: short stacking energy: -526.574 Base-Backbone interact. energy: 2.040 local terms energy: -630.817405 where: bonds (distance) C4'-P energy: -127.773 bonds (distance) P-C4' energy: -179.434 flat angles C4'-P-C4' energy: -137.649 flat angles P-C4'-P energy: -74.231 tors. eta vs tors. theta energy: -111.729 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: 9, replica: 9 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1303.050271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.050271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.050271 (E_RNA) where: Base-Base interactions energy: -777.472 where: short stacking energy: -360.187 Base-Backbone interact. energy: -3.934 local terms energy: -521.644455 where: bonds (distance) C4'-P energy: -129.995 bonds (distance) P-C4' energy: -122.235 flat angles C4'-P-C4' energy: -145.797 flat angles P-C4'-P energy: -74.109 tors. eta vs tors. theta energy: -49.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -981.926610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.926610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.926610 (E_RNA) where: Base-Base interactions energy: -565.111 where: short stacking energy: -289.157 Base-Backbone interact. energy: -0.415 local terms energy: -416.401018 where: bonds (distance) C4'-P energy: -128.900 bonds (distance) P-C4' energy: -137.008 flat angles C4'-P-C4' energy: -107.802 flat angles P-C4'-P energy: -51.968 tors. eta vs tors. theta energy: 9.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -3072.013248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.013248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.013248 (E_RNA) where: Base-Base interactions energy: -2180.304 where: short stacking energy: -875.595 Base-Backbone interact. energy: -6.889 local terms energy: -884.819971 where: bonds (distance) C4'-P energy: -157.706 bonds (distance) P-C4' energy: -166.093 flat angles C4'-P-C4' energy: -188.672 flat angles P-C4'-P energy: -123.829 tors. eta vs tors. theta energy: -248.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2820.847437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.847437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.847437 (E_RNA) where: Base-Base interactions energy: -1953.099 where: short stacking energy: -839.113 Base-Backbone interact. energy: -0.317 local terms energy: -867.431155 where: bonds (distance) C4'-P energy: -163.493 bonds (distance) P-C4' energy: -164.767 flat angles C4'-P-C4' energy: -183.547 flat angles P-C4'-P energy: -127.668 tors. eta vs tors. theta energy: -227.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2721.225642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.225642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.225642 (E_RNA) where: Base-Base interactions energy: -1883.568 where: short stacking energy: -774.022 Base-Backbone interact. energy: -1.710 local terms energy: -835.947791 where: bonds (distance) C4'-P energy: -159.162 bonds (distance) P-C4' energy: -168.829 flat angles C4'-P-C4' energy: -181.040 flat angles P-C4'-P energy: -117.799 tors. eta vs tors. theta energy: -209.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2583.923310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.923310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.923310 (E_RNA) where: Base-Base interactions energy: -1832.502 where: short stacking energy: -767.248 Base-Backbone interact. energy: -3.434 local terms energy: -747.986940 where: bonds (distance) C4'-P energy: -145.616 bonds (distance) P-C4' energy: -139.080 flat angles C4'-P-C4' energy: -164.214 flat angles P-C4'-P energy: -97.648 tors. eta vs tors. theta energy: -201.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2484.238658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.238658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.238658 (E_RNA) where: Base-Base interactions energy: -1711.130 where: short stacking energy: -743.273 Base-Backbone interact. energy: -4.955 local terms energy: -768.153531 where: bonds (distance) C4'-P energy: -143.586 bonds (distance) P-C4' energy: -160.289 flat angles C4'-P-C4' energy: -159.376 flat angles P-C4'-P energy: -112.389 tors. eta vs tors. theta energy: -192.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -2280.856710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.856710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.856710 (E_RNA) where: Base-Base interactions energy: -1570.511 where: short stacking energy: -644.978 Base-Backbone interact. energy: -5.041 local terms energy: -705.304204 where: bonds (distance) C4'-P energy: -141.329 bonds (distance) P-C4' energy: -160.595 flat angles C4'-P-C4' energy: -141.998 flat angles P-C4'-P energy: -97.922 tors. eta vs tors. theta energy: -163.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -2083.734433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.734433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.734433 (E_RNA) where: Base-Base interactions energy: -1394.006 where: short stacking energy: -601.108 Base-Backbone interact. energy: -2.720 local terms energy: -687.008245 where: bonds (distance) C4'-P energy: -133.203 bonds (distance) P-C4' energy: -142.923 flat angles C4'-P-C4' energy: -153.942 flat angles P-C4'-P energy: -110.211 tors. eta vs tors. theta energy: -146.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1809.035205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.035205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.035205 (E_RNA) where: Base-Base interactions energy: -1202.124 where: short stacking energy: -544.014 Base-Backbone interact. energy: 0.920 local terms energy: -607.831865 where: bonds (distance) C4'-P energy: -146.085 bonds (distance) P-C4' energy: -126.138 flat angles C4'-P-C4' energy: -127.873 flat angles P-C4'-P energy: -95.522 tors. eta vs tors. theta energy: -112.213 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: 216 Temperature: 1.300000 Total energy: -1309.514898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.514898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.514898 (E_RNA) where: Base-Base interactions energy: -808.314 where: short stacking energy: -373.762 Base-Backbone interact. energy: -1.430 local terms energy: -499.771811 where: bonds (distance) C4'-P energy: -117.259 bonds (distance) P-C4' energy: -139.236 flat angles C4'-P-C4' energy: -126.217 flat angles P-C4'-P energy: -62.420 tors. eta vs tors. theta energy: -54.640 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: 10 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -1008.091495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.091495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.091495 (E_RNA) where: Base-Base interactions energy: -562.940 where: short stacking energy: -304.174 Base-Backbone interact. energy: 1.653 local terms energy: -446.804000 where: bonds (distance) C4'-P energy: -130.896 bonds (distance) P-C4' energy: -119.360 flat angles C4'-P-C4' energy: -108.019 flat angles P-C4'-P energy: -65.668 tors. eta vs tors. theta energy: -22.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -3046.317209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.317209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.317209 (E_RNA) where: Base-Base interactions energy: -2175.489 where: short stacking energy: -854.025 Base-Backbone interact. energy: -4.716 local terms energy: -866.111702 where: bonds (distance) C4'-P energy: -148.982 bonds (distance) P-C4' energy: -170.691 flat angles C4'-P-C4' energy: -185.767 flat angles P-C4'-P energy: -128.518 tors. eta vs tors. theta energy: -232.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2812.266123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.266123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.266123 (E_RNA) where: Base-Base interactions energy: -1940.045 where: short stacking energy: -818.448 Base-Backbone interact. energy: 0.500 local terms energy: -872.721863 where: bonds (distance) C4'-P energy: -156.355 bonds (distance) P-C4' energy: -171.787 flat angles C4'-P-C4' energy: -191.284 flat angles P-C4'-P energy: -128.946 tors. eta vs tors. theta energy: -224.349 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: 3, replica: 5 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2696.064918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.064918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.064918 (E_RNA) where: Base-Base interactions energy: -1862.595 where: short stacking energy: -768.931 Base-Backbone interact. energy: -1.395 local terms energy: -832.074215 where: bonds (distance) C4'-P energy: -153.532 bonds (distance) P-C4' energy: -172.057 flat angles C4'-P-C4' energy: -174.505 flat angles P-C4'-P energy: -118.182 tors. eta vs tors. theta energy: -213.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2562.824837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.824837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.824837 (E_RNA) where: Base-Base interactions energy: -1746.067 where: short stacking energy: -727.959 Base-Backbone interact. energy: -1.988 local terms energy: -814.770145 where: bonds (distance) C4'-P energy: -139.752 bonds (distance) P-C4' energy: -171.770 flat angles C4'-P-C4' energy: -168.679 flat angles P-C4'-P energy: -120.117 tors. eta vs tors. theta energy: -214.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2440.693526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.693526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.693526 (E_RNA) where: Base-Base interactions energy: -1656.020 where: short stacking energy: -729.453 Base-Backbone interact. energy: 0.765 local terms energy: -785.438419 where: bonds (distance) C4'-P energy: -127.499 bonds (distance) P-C4' energy: -158.252 flat angles C4'-P-C4' energy: -180.057 flat angles P-C4'-P energy: -115.402 tors. eta vs tors. theta energy: -204.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -2248.362600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.362600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.362600 (E_RNA) where: Base-Base interactions energy: -1555.797 where: short stacking energy: -645.967 Base-Backbone interact. energy: -1.710 local terms energy: -690.856317 where: bonds (distance) C4'-P energy: -149.798 bonds (distance) P-C4' energy: -128.663 flat angles C4'-P-C4' energy: -157.332 flat angles P-C4'-P energy: -96.238 tors. eta vs tors. theta energy: -158.825 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: 7, replica: 6 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -2076.146037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.146037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.146037 (E_RNA) where: Base-Base interactions energy: -1395.988 where: short stacking energy: -595.920 Base-Backbone interact. energy: -0.630 local terms energy: -679.528116 where: bonds (distance) C4'-P energy: -134.284 bonds (distance) P-C4' energy: -159.880 flat angles C4'-P-C4' energy: -134.027 flat angles P-C4'-P energy: -90.739 tors. eta vs tors. theta energy: -160.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1782.277419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.277419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.277419 (E_RNA) where: Base-Base interactions energy: -1174.264 where: short stacking energy: -519.898 Base-Backbone interact. energy: 0.464 local terms energy: -608.477322 where: bonds (distance) C4'-P energy: -138.017 bonds (distance) P-C4' energy: -131.864 flat angles C4'-P-C4' energy: -128.640 flat angles P-C4'-P energy: -90.363 tors. eta vs tors. theta energy: -119.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1348.135160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.135160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.135160 (E_RNA) where: Base-Base interactions energy: -835.231 where: short stacking energy: -364.086 Base-Backbone interact. energy: -3.753 local terms energy: -509.151054 where: bonds (distance) C4'-P energy: -119.265 bonds (distance) P-C4' energy: -143.221 flat angles C4'-P-C4' energy: -126.476 flat angles P-C4'-P energy: -85.292 tors. eta vs tors. theta energy: -34.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -1012.306590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.306590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.306590 (E_RNA) where: Base-Base interactions energy: -559.620 where: short stacking energy: -306.615 Base-Backbone interact. energy: -1.807 local terms energy: -450.879894 where: bonds (distance) C4'-P energy: -101.834 bonds (distance) P-C4' energy: -151.416 flat angles C4'-P-C4' energy: -103.743 flat angles P-C4'-P energy: -82.938 tors. eta vs tors. theta energy: -10.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -3039.940902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.940902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.940902 (E_RNA) where: Base-Base interactions energy: -2177.905 where: short stacking energy: -873.267 Base-Backbone interact. energy: -5.354 local terms energy: -856.681782 where: bonds (distance) C4'-P energy: -137.387 bonds (distance) P-C4' energy: -164.212 flat angles C4'-P-C4' energy: -200.426 flat angles P-C4'-P energy: -121.121 tors. eta vs tors. theta energy: -233.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2809.867245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.867245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.867245 (E_RNA) where: Base-Base interactions energy: -1929.654 where: short stacking energy: -839.823 Base-Backbone interact. energy: -5.049 local terms energy: -875.164242 where: bonds (distance) C4'-P energy: -144.563 bonds (distance) P-C4' energy: -176.085 flat angles C4'-P-C4' energy: -191.253 flat angles P-C4'-P energy: -125.980 tors. eta vs tors. theta energy: -237.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2729.014821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.014821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.014821 (E_RNA) where: Base-Base interactions energy: -1862.068 where: short stacking energy: -789.753 Base-Backbone interact. energy: 1.824 local terms energy: -868.770720 where: bonds (distance) C4'-P energy: -170.373 bonds (distance) P-C4' energy: -169.695 flat angles C4'-P-C4' energy: -179.363 flat angles P-C4'-P energy: -129.758 tors. eta vs tors. theta energy: -219.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2547.254898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.254898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.254898 (E_RNA) where: Base-Base interactions energy: -1750.225 where: short stacking energy: -732.611 Base-Backbone interact. energy: -6.236 local terms energy: -790.793790 where: bonds (distance) C4'-P energy: -153.176 bonds (distance) P-C4' energy: -156.007 flat angles C4'-P-C4' energy: -162.216 flat angles P-C4'-P energy: -116.761 tors. eta vs tors. theta energy: -202.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -2406.450395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.450395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.450395 (E_RNA) where: Base-Base interactions energy: -1660.181 where: short stacking energy: -690.663 Base-Backbone interact. energy: -2.931 local terms energy: -743.338818 where: bonds (distance) C4'-P energy: -135.184 bonds (distance) P-C4' energy: -159.608 flat angles C4'-P-C4' energy: -154.688 flat angles P-C4'-P energy: -113.336 tors. eta vs tors. theta energy: -180.523 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: 6, replica: 8 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -2267.795337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.795337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.795337 (E_RNA) where: Base-Base interactions energy: -1551.257 where: short stacking energy: -653.146 Base-Backbone interact. energy: -3.021 local terms energy: -713.516754 where: bonds (distance) C4'-P energy: -140.892 bonds (distance) P-C4' energy: -142.586 flat angles C4'-P-C4' energy: -164.470 flat angles P-C4'-P energy: -88.497 tors. eta vs tors. theta energy: -177.072 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: 6 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -2049.047995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.047995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.047995 (E_RNA) where: Base-Base interactions energy: -1383.575 where: short stacking energy: -599.778 Base-Backbone interact. energy: -0.813 local terms energy: -664.660588 where: bonds (distance) C4'-P energy: -132.198 bonds (distance) P-C4' energy: -149.274 flat angles C4'-P-C4' energy: -154.108 flat angles P-C4'-P energy: -88.368 tors. eta vs tors. theta energy: -140.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1811.445422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.445422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.445422 (E_RNA) where: Base-Base interactions energy: -1195.999 where: short stacking energy: -514.475 Base-Backbone interact. energy: -0.517 local terms energy: -614.930099 where: bonds (distance) C4'-P energy: -132.028 bonds (distance) P-C4' energy: -139.905 flat angles C4'-P-C4' energy: -121.757 flat angles P-C4'-P energy: -111.054 tors. eta vs tors. theta energy: -110.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -1381.744042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.744042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.744042 (E_RNA) where: Base-Base interactions energy: -821.320 where: short stacking energy: -399.482 Base-Backbone interact. energy: -1.366 local terms energy: -559.058236 where: bonds (distance) C4'-P energy: -138.738 bonds (distance) P-C4' energy: -154.480 flat angles C4'-P-C4' energy: -130.536 flat angles P-C4'-P energy: -86.370 tors. eta vs tors. theta energy: -48.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -966.010976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.010976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.010976 (E_RNA) where: Base-Base interactions energy: -521.166 where: short stacking energy: -288.767 Base-Backbone interact. energy: 1.465 local terms energy: -446.309374 where: bonds (distance) C4'-P energy: -108.673 bonds (distance) P-C4' energy: -156.657 flat angles C4'-P-C4' energy: -104.579 flat angles P-C4'-P energy: -55.388 tors. eta vs tors. theta energy: -21.012 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: 219 Temperature: 0.900000 Total energy: -3043.036702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.036702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.036702 (E_RNA) where: Base-Base interactions energy: -2169.437 where: short stacking energy: -867.951 Base-Backbone interact. energy: -4.225 local terms energy: -869.374775 where: bonds (distance) C4'-P energy: -150.579 bonds (distance) P-C4' energy: -172.987 flat angles C4'-P-C4' energy: -176.994 flat angles P-C4'-P energy: -131.736 tors. eta vs tors. theta energy: -237.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2828.184821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.184821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.184821 (E_RNA) where: Base-Base interactions energy: -1966.172 where: short stacking energy: -797.797 Base-Backbone interact. energy: -2.915 local terms energy: -859.097706 where: bonds (distance) C4'-P energy: -165.756 bonds (distance) P-C4' energy: -165.082 flat angles C4'-P-C4' energy: -181.364 flat angles P-C4'-P energy: -111.414 tors. eta vs tors. theta energy: -235.482 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: 3, replica: 5 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2717.882336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.882336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.882336 (E_RNA) where: Base-Base interactions energy: -1845.318 where: short stacking energy: -790.174 Base-Backbone interact. energy: -4.462 local terms energy: -868.102474 where: bonds (distance) C4'-P energy: -181.909 bonds (distance) P-C4' energy: -178.835 flat angles C4'-P-C4' energy: -187.617 flat angles P-C4'-P energy: -109.684 tors. eta vs tors. theta energy: -210.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2591.677483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.677483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.677483 (E_RNA) where: Base-Base interactions energy: -1785.931 where: short stacking energy: -725.836 Base-Backbone interact. energy: -3.204 local terms energy: -802.543283 where: bonds (distance) C4'-P energy: -138.020 bonds (distance) P-C4' energy: -185.581 flat angles C4'-P-C4' energy: -174.689 flat angles P-C4'-P energy: -102.106 tors. eta vs tors. theta energy: -202.148 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: 4 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2437.229538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.229538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.229538 (E_RNA) where: Base-Base interactions energy: -1657.709 where: short stacking energy: -713.569 Base-Backbone interact. energy: -2.010 local terms energy: -777.510813 where: bonds (distance) C4'-P energy: -135.280 bonds (distance) P-C4' energy: -156.896 flat angles C4'-P-C4' energy: -169.816 flat angles P-C4'-P energy: -112.784 tors. eta vs tors. theta energy: -202.736 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: 8 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -2259.955683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.955683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.955683 (E_RNA) where: Base-Base interactions energy: -1581.795 where: short stacking energy: -657.604 Base-Backbone interact. energy: -4.913 local terms energy: -673.247907 where: bonds (distance) C4'-P energy: -127.744 bonds (distance) P-C4' energy: -138.655 flat angles C4'-P-C4' energy: -148.130 flat angles P-C4'-P energy: -88.312 tors. eta vs tors. theta energy: -170.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -2091.223846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.223846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.223846 (E_RNA) where: Base-Base interactions energy: -1405.049 where: short stacking energy: -583.138 Base-Backbone interact. energy: -0.957 local terms energy: -685.217813 where: bonds (distance) C4'-P energy: -135.071 bonds (distance) P-C4' energy: -154.840 flat angles C4'-P-C4' energy: -148.162 flat angles P-C4'-P energy: -91.687 tors. eta vs tors. theta energy: -155.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1700.971078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.971078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.971078 (E_RNA) where: Base-Base interactions energy: -1103.312 where: short stacking energy: -484.428 Base-Backbone interact. energy: 1.094 local terms energy: -598.753212 where: bonds (distance) C4'-P energy: -118.258 bonds (distance) P-C4' energy: -133.682 flat angles C4'-P-C4' energy: -145.470 flat angles P-C4'-P energy: -99.716 tors. eta vs tors. theta energy: -101.627 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: 219 Temperature: 1.300000 Total energy: -1388.851022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.851022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.851022 (E_RNA) where: Base-Base interactions energy: -876.139 where: short stacking energy: -395.631 Base-Backbone interact. energy: 1.259 local terms energy: -513.971571 where: bonds (distance) C4'-P energy: -121.551 bonds (distance) P-C4' energy: -137.740 flat angles C4'-P-C4' energy: -127.343 flat angles P-C4'-P energy: -70.382 tors. eta vs tors. theta energy: -56.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -999.202423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.202423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.202423 (E_RNA) where: Base-Base interactions energy: -543.767 where: short stacking energy: -285.911 Base-Backbone interact. energy: 0.507 local terms energy: -455.942505 where: bonds (distance) C4'-P energy: -133.630 bonds (distance) P-C4' energy: -136.805 flat angles C4'-P-C4' energy: -113.821 flat angles P-C4'-P energy: -73.148 tors. eta vs tors. theta energy: 1.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -3050.176775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.176775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.176775 (E_RNA) where: Base-Base interactions energy: -2155.504 where: short stacking energy: -869.951 Base-Backbone interact. energy: -4.890 local terms energy: -889.783285 where: bonds (distance) C4'-P energy: -160.780 bonds (distance) P-C4' energy: -161.333 flat angles C4'-P-C4' energy: -200.939 flat angles P-C4'-P energy: -137.631 tors. eta vs tors. theta energy: -229.100 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: 2, replica: 1 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2836.801762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.801762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.801762 (E_RNA) where: Base-Base interactions energy: -1962.608 where: short stacking energy: -837.097 Base-Backbone interact. energy: -5.968 local terms energy: -868.226292 where: bonds (distance) C4'-P energy: -157.454 bonds (distance) P-C4' energy: -170.373 flat angles C4'-P-C4' energy: -193.510 flat angles P-C4'-P energy: -118.151 tors. eta vs tors. theta energy: -228.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2711.679263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.679263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.679263 (E_RNA) where: Base-Base interactions energy: -1862.229 where: short stacking energy: -778.678 Base-Backbone interact. energy: -2.779 local terms energy: -846.671498 where: bonds (distance) C4'-P energy: -174.302 bonds (distance) P-C4' energy: -167.609 flat angles C4'-P-C4' energy: -171.458 flat angles P-C4'-P energy: -121.821 tors. eta vs tors. theta energy: -211.481 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: 7 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2517.239262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.239262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.239262 (E_RNA) where: Base-Base interactions energy: -1724.462 where: short stacking energy: -700.265 Base-Backbone interact. energy: -4.406 local terms energy: -788.371073 where: bonds (distance) C4'-P energy: -154.208 bonds (distance) P-C4' energy: -170.973 flat angles C4'-P-C4' energy: -160.412 flat angles P-C4'-P energy: -106.693 tors. eta vs tors. theta energy: -196.083 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: 4 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2417.445931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.445931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.445931 (E_RNA) where: Base-Base interactions energy: -1660.569 where: short stacking energy: -687.256 Base-Backbone interact. energy: -6.198 local terms energy: -750.678951 where: bonds (distance) C4'-P energy: -127.406 bonds (distance) P-C4' energy: -162.647 flat angles C4'-P-C4' energy: -163.716 flat angles P-C4'-P energy: -114.208 tors. eta vs tors. theta energy: -182.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -2297.600973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.600973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.600973 (E_RNA) where: Base-Base interactions energy: -1611.257 where: short stacking energy: -658.806 Base-Backbone interact. energy: 3.668 local terms energy: -690.012475 where: bonds (distance) C4'-P energy: -127.569 bonds (distance) P-C4' energy: -141.544 flat angles C4'-P-C4' energy: -156.427 flat angles P-C4'-P energy: -104.834 tors. eta vs tors. theta energy: -159.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -2069.883838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.883838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.883838 (E_RNA) where: Base-Base interactions energy: -1382.473 where: short stacking energy: -586.894 Base-Backbone interact. energy: -0.491 local terms energy: -686.919725 where: bonds (distance) C4'-P energy: -136.924 bonds (distance) P-C4' energy: -169.677 flat angles C4'-P-C4' energy: -145.804 flat angles P-C4'-P energy: -92.350 tors. eta vs tors. theta energy: -142.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1650.868008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.868008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.868008 (E_RNA) where: Base-Base interactions energy: -1015.829 where: short stacking energy: -489.898 Base-Backbone interact. energy: 0.441 local terms energy: -635.479773 where: bonds (distance) C4'-P energy: -144.306 bonds (distance) P-C4' energy: -153.857 flat angles C4'-P-C4' energy: -143.956 flat angles P-C4'-P energy: -87.227 tors. eta vs tors. theta energy: -106.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -1342.470295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.470295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.470295 (E_RNA) where: Base-Base interactions energy: -788.798 where: short stacking energy: -381.836 Base-Backbone interact. energy: -1.273 local terms energy: -552.399850 where: bonds (distance) C4'-P energy: -126.471 bonds (distance) P-C4' energy: -151.387 flat angles C4'-P-C4' energy: -130.993 flat angles P-C4'-P energy: -80.670 tors. eta vs tors. theta energy: -62.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -1041.977127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.977127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.977127 (E_RNA) where: Base-Base interactions energy: -579.392 where: short stacking energy: -293.173 Base-Backbone interact. energy: -0.027 local terms energy: -462.558117 where: bonds (distance) C4'-P energy: -135.505 bonds (distance) P-C4' energy: -130.601 flat angles C4'-P-C4' energy: -99.812 flat angles P-C4'-P energy: -77.193 tors. eta vs tors. theta energy: -19.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -3051.381886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.381886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.381886 (E_RNA) where: Base-Base interactions energy: -2143.095 where: short stacking energy: -856.301 Base-Backbone interact. energy: -4.104 local terms energy: -904.182913 where: bonds (distance) C4'-P energy: -180.261 bonds (distance) P-C4' energy: -168.467 flat angles C4'-P-C4' energy: -194.937 flat angles P-C4'-P energy: -126.406 tors. eta vs tors. theta energy: -234.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2804.671727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.671727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.671727 (E_RNA) where: Base-Base interactions energy: -1932.894 where: short stacking energy: -808.161 Base-Backbone interact. energy: -4.383 local terms energy: -867.394607 where: bonds (distance) C4'-P energy: -145.150 bonds (distance) P-C4' energy: -180.882 flat angles C4'-P-C4' energy: -190.870 flat angles P-C4'-P energy: -123.978 tors. eta vs tors. theta energy: -226.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2700.066904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.066904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.066904 (E_RNA) where: Base-Base interactions energy: -1883.320 where: short stacking energy: -769.860 Base-Backbone interact. energy: -4.010 local terms energy: -812.736755 where: bonds (distance) C4'-P energy: -151.750 bonds (distance) P-C4' energy: -163.095 flat angles C4'-P-C4' energy: -179.399 flat angles P-C4'-P energy: -113.220 tors. eta vs tors. theta energy: -205.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2468.542602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.542602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.542602 (E_RNA) where: Base-Base interactions energy: -1698.382 where: short stacking energy: -690.779 Base-Backbone interact. energy: -4.771 local terms energy: -765.389138 where: bonds (distance) C4'-P energy: -141.863 bonds (distance) P-C4' energy: -147.193 flat angles C4'-P-C4' energy: -173.101 flat angles P-C4'-P energy: -118.638 tors. eta vs tors. theta energy: -184.594 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: 221 Temperature: 1.100000 Total energy: -2462.873053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.873053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.873053 (E_RNA) where: Base-Base interactions energy: -1708.982 where: short stacking energy: -730.321 Base-Backbone interact. energy: -5.523 local terms energy: -748.368574 where: bonds (distance) C4'-P energy: -154.251 bonds (distance) P-C4' energy: -145.074 flat angles C4'-P-C4' energy: -161.905 flat angles P-C4'-P energy: -100.222 tors. eta vs tors. theta energy: -186.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -2323.071408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.071408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.071408 (E_RNA) where: Base-Base interactions energy: -1623.066 where: short stacking energy: -662.565 Base-Backbone interact. energy: 0.680 local terms energy: -700.685772 where: bonds (distance) C4'-P energy: -138.505 bonds (distance) P-C4' energy: -127.491 flat angles C4'-P-C4' energy: -167.067 flat angles P-C4'-P energy: -91.447 tors. eta vs tors. theta energy: -176.175 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: 221 Temperature: 1.200000 Total energy: -2047.524905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.524905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.524905 (E_RNA) where: Base-Base interactions energy: -1362.512 where: short stacking energy: -597.015 Base-Backbone interact. energy: -2.048 local terms energy: -682.964956 where: bonds (distance) C4'-P energy: -143.660 bonds (distance) P-C4' energy: -132.864 flat angles C4'-P-C4' energy: -150.054 flat angles P-C4'-P energy: -113.614 tors. eta vs tors. theta energy: -142.773 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: 2 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1649.149851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.149851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.149851 (E_RNA) where: Base-Base interactions energy: -1060.385 where: short stacking energy: -481.583 Base-Backbone interact. energy: 1.121 local terms energy: -589.886291 where: bonds (distance) C4'-P energy: -143.242 bonds (distance) P-C4' energy: -144.935 flat angles C4'-P-C4' energy: -128.483 flat angles P-C4'-P energy: -79.468 tors. eta vs tors. theta energy: -93.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -1394.893067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.893067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.893067 (E_RNA) where: Base-Base interactions energy: -849.677 where: short stacking energy: -407.595 Base-Backbone interact. energy: -3.905 local terms energy: -541.311827 where: bonds (distance) C4'-P energy: -130.833 bonds (distance) P-C4' energy: -141.278 flat angles C4'-P-C4' energy: -150.289 flat angles P-C4'-P energy: -68.275 tors. eta vs tors. theta energy: -50.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -1002.873263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.873263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.873263 (E_RNA) where: Base-Base interactions energy: -537.210 where: short stacking energy: -262.097 Base-Backbone interact. energy: 2.807 local terms energy: -468.470502 where: bonds (distance) C4'-P energy: -118.998 bonds (distance) P-C4' energy: -157.947 flat angles C4'-P-C4' energy: -114.141 flat angles P-C4'-P energy: -74.365 tors. eta vs tors. theta energy: -3.019 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: 222 Temperature: 0.900000 Total energy: -3062.373472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.373472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.373472 (E_RNA) where: Base-Base interactions energy: -2205.030 where: short stacking energy: -882.036 Base-Backbone interact. energy: -3.824 local terms energy: -853.520234 where: bonds (distance) C4'-P energy: -147.598 bonds (distance) P-C4' energy: -167.411 flat angles C4'-P-C4' energy: -188.388 flat angles P-C4'-P energy: -116.947 tors. eta vs tors. theta energy: -233.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2794.328862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.328862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.328862 (E_RNA) where: Base-Base interactions energy: -1929.168 where: short stacking energy: -816.344 Base-Backbone interact. energy: -4.705 local terms energy: -860.455065 where: bonds (distance) C4'-P energy: -149.836 bonds (distance) P-C4' energy: -160.276 flat angles C4'-P-C4' energy: -178.658 flat angles P-C4'-P energy: -127.436 tors. eta vs tors. theta energy: -244.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2723.505372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.505372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.505372 (E_RNA) where: Base-Base interactions energy: -1897.665 where: short stacking energy: -781.174 Base-Backbone interact. energy: -5.396 local terms energy: -820.444127 where: bonds (distance) C4'-P energy: -153.810 bonds (distance) P-C4' energy: -166.450 flat angles C4'-P-C4' energy: -167.899 flat angles P-C4'-P energy: -122.197 tors. eta vs tors. theta energy: -210.087 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: 7 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2516.476008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.476008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.476008 (E_RNA) where: Base-Base interactions energy: -1743.062 where: short stacking energy: -726.713 Base-Backbone interact. energy: -4.592 local terms energy: -768.822234 where: bonds (distance) C4'-P energy: -141.741 bonds (distance) P-C4' energy: -147.455 flat angles C4'-P-C4' energy: -179.845 flat angles P-C4'-P energy: -98.255 tors. eta vs tors. theta energy: -201.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2462.226161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.226161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.226161 (E_RNA) where: Base-Base interactions energy: -1686.733 where: short stacking energy: -708.936 Base-Backbone interact. energy: -4.805 local terms energy: -770.688474 where: bonds (distance) C4'-P energy: -139.418 bonds (distance) P-C4' energy: -159.852 flat angles C4'-P-C4' energy: -169.532 flat angles P-C4'-P energy: -116.926 tors. eta vs tors. theta energy: -184.961 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: 6, replica: 8 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -2309.021208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.021208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.021208 (E_RNA) where: Base-Base interactions energy: -1573.320 where: short stacking energy: -681.013 Base-Backbone interact. energy: 5.572 local terms energy: -741.272996 where: bonds (distance) C4'-P energy: -132.607 bonds (distance) P-C4' energy: -148.802 flat angles C4'-P-C4' energy: -157.967 flat angles P-C4'-P energy: -104.589 tors. eta vs tors. theta energy: -197.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -2065.429951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.429951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.429951 (E_RNA) where: Base-Base interactions energy: -1362.506 where: short stacking energy: -578.846 Base-Backbone interact. energy: -2.492 local terms energy: -700.432139 where: bonds (distance) C4'-P energy: -127.615 bonds (distance) P-C4' energy: -161.691 flat angles C4'-P-C4' energy: -150.182 flat angles P-C4'-P energy: -108.413 tors. eta vs tors. theta energy: -152.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1707.846839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.846839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.846839 (E_RNA) where: Base-Base interactions energy: -1074.419 where: short stacking energy: -459.296 Base-Backbone interact. energy: -4.399 local terms energy: -629.029059 where: bonds (distance) C4'-P energy: -126.425 bonds (distance) P-C4' energy: -154.017 flat angles C4'-P-C4' energy: -157.950 flat angles P-C4'-P energy: -90.890 tors. eta vs tors. theta energy: -99.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1425.184497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.184497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.184497 (E_RNA) where: Base-Base interactions energy: -863.535 where: short stacking energy: -391.144 Base-Backbone interact. energy: -2.607 local terms energy: -559.042529 where: bonds (distance) C4'-P energy: -144.387 bonds (distance) P-C4' energy: -148.536 flat angles C4'-P-C4' energy: -126.568 flat angles P-C4'-P energy: -75.156 tors. eta vs tors. theta energy: -64.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -990.668022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.668022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.668022 (E_RNA) where: Base-Base interactions energy: -543.510 where: short stacking energy: -315.504 Base-Backbone interact. energy: 2.528 local terms energy: -449.685981 where: bonds (distance) C4'-P energy: -106.571 bonds (distance) P-C4' energy: -157.593 flat angles C4'-P-C4' energy: -126.513 flat angles P-C4'-P energy: -66.082 tors. eta vs tors. theta energy: 7.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -3050.693721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.693721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.693721 (E_RNA) where: Base-Base interactions energy: -2177.627 where: short stacking energy: -876.040 Base-Backbone interact. energy: -1.775 local terms energy: -871.291913 where: bonds (distance) C4'-P energy: -161.442 bonds (distance) P-C4' energy: -160.276 flat angles C4'-P-C4' energy: -185.449 flat angles P-C4'-P energy: -125.829 tors. eta vs tors. theta energy: -238.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2803.014517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.014517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.014517 (E_RNA) where: Base-Base interactions energy: -1950.065 where: short stacking energy: -805.692 Base-Backbone interact. energy: -3.983 local terms energy: -848.966606 where: bonds (distance) C4'-P energy: -160.884 bonds (distance) P-C4' energy: -159.914 flat angles C4'-P-C4' energy: -174.590 flat angles P-C4'-P energy: -127.651 tors. eta vs tors. theta energy: -225.927 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: 5 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2681.822948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.822948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.822948 (E_RNA) where: Base-Base interactions energy: -1896.350 where: short stacking energy: -793.371 Base-Backbone interact. energy: 1.547 local terms energy: -787.019773 where: bonds (distance) C4'-P energy: -138.395 bonds (distance) P-C4' energy: -155.214 flat angles C4'-P-C4' energy: -180.284 flat angles P-C4'-P energy: -108.163 tors. eta vs tors. theta energy: -204.964 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: 7 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2544.409371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.409371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.409371 (E_RNA) where: Base-Base interactions energy: -1783.932 where: short stacking energy: -732.398 Base-Backbone interact. energy: -2.516 local terms energy: -757.961124 where: bonds (distance) C4'-P energy: -124.413 bonds (distance) P-C4' energy: -152.713 flat angles C4'-P-C4' energy: -185.684 flat angles P-C4'-P energy: -99.300 tors. eta vs tors. theta energy: -195.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2476.766392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.766392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.766392 (E_RNA) where: Base-Base interactions energy: -1719.444 where: short stacking energy: -709.024 Base-Backbone interact. energy: -1.798 local terms energy: -755.523573 where: bonds (distance) C4'-P energy: -139.636 bonds (distance) P-C4' energy: -149.161 flat angles C4'-P-C4' energy: -161.074 flat angles P-C4'-P energy: -112.583 tors. eta vs tors. theta energy: -193.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -2285.031602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.031602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.031602 (E_RNA) where: Base-Base interactions energy: -1539.874 where: short stacking energy: -672.623 Base-Backbone interact. energy: -0.387 local terms energy: -744.770282 where: bonds (distance) C4'-P energy: -144.410 bonds (distance) P-C4' energy: -145.364 flat angles C4'-P-C4' energy: -168.993 flat angles P-C4'-P energy: -107.281 tors. eta vs tors. theta energy: -178.722 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: 6 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -2030.479432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.479432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.479432 (E_RNA) where: Base-Base interactions energy: -1385.473 where: short stacking energy: -624.959 Base-Backbone interact. energy: -1.571 local terms energy: -643.434537 where: bonds (distance) C4'-P energy: -117.827 bonds (distance) P-C4' energy: -129.563 flat angles C4'-P-C4' energy: -144.119 flat angles P-C4'-P energy: -104.384 tors. eta vs tors. theta energy: -147.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1761.653887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.653887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.653887 (E_RNA) where: Base-Base interactions energy: -1140.693 where: short stacking energy: -523.697 Base-Backbone interact. energy: -3.963 local terms energy: -616.997747 where: bonds (distance) C4'-P energy: -132.727 bonds (distance) P-C4' energy: -145.994 flat angles C4'-P-C4' energy: -123.593 flat angles P-C4'-P energy: -110.942 tors. eta vs tors. theta energy: -103.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1430.823125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.823125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.823125 (E_RNA) where: Base-Base interactions energy: -911.192 where: short stacking energy: -418.765 Base-Backbone interact. energy: -0.041 local terms energy: -519.590989 where: bonds (distance) C4'-P energy: -124.972 bonds (distance) P-C4' energy: -148.356 flat angles C4'-P-C4' energy: -99.041 flat angles P-C4'-P energy: -79.860 tors. eta vs tors. theta energy: -67.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -1041.225190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.225190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.225190 (E_RNA) where: Base-Base interactions energy: -570.152 where: short stacking energy: -302.919 Base-Backbone interact. energy: -0.692 local terms energy: -470.380844 where: bonds (distance) C4'-P energy: -115.554 bonds (distance) P-C4' energy: -137.972 flat angles C4'-P-C4' energy: -114.766 flat angles P-C4'-P energy: -88.049 tors. eta vs tors. theta energy: -14.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -3063.505759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.505759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.505759 (E_RNA) where: Base-Base interactions energy: -2151.456 where: short stacking energy: -888.778 Base-Backbone interact. energy: -9.237 local terms energy: -902.812852 where: bonds (distance) C4'-P energy: -162.387 bonds (distance) P-C4' energy: -165.832 flat angles C4'-P-C4' energy: -185.701 flat angles P-C4'-P energy: -140.303 tors. eta vs tors. theta energy: -248.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2799.509697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.509697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.509697 (E_RNA) where: Base-Base interactions energy: -1929.366 where: short stacking energy: -821.715 Base-Backbone interact. energy: -3.002 local terms energy: -867.142015 where: bonds (distance) C4'-P energy: -163.275 bonds (distance) P-C4' energy: -165.608 flat angles C4'-P-C4' energy: -187.349 flat angles P-C4'-P energy: -119.468 tors. eta vs tors. theta energy: -231.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2731.870636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.870636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.870636 (E_RNA) where: Base-Base interactions energy: -1924.230 where: short stacking energy: -793.717 Base-Backbone interact. energy: -2.867 local terms energy: -804.773474 where: bonds (distance) C4'-P energy: -149.762 bonds (distance) P-C4' energy: -157.348 flat angles C4'-P-C4' energy: -178.983 flat angles P-C4'-P energy: -119.063 tors. eta vs tors. theta energy: -199.617 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: 7 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2494.346758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.346758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.346758 (E_RNA) where: Base-Base interactions energy: -1721.708 where: short stacking energy: -714.479 Base-Backbone interact. energy: -1.790 local terms energy: -770.848868 where: bonds (distance) C4'-P energy: -147.375 bonds (distance) P-C4' energy: -159.233 flat angles C4'-P-C4' energy: -160.793 flat angles P-C4'-P energy: -111.924 tors. eta vs tors. theta energy: -191.524 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: 4 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2470.208282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.208282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.208282 (E_RNA) where: Base-Base interactions energy: -1712.230 where: short stacking energy: -701.385 Base-Backbone interact. energy: -3.875 local terms energy: -754.103506 where: bonds (distance) C4'-P energy: -143.104 bonds (distance) P-C4' energy: -154.801 flat angles C4'-P-C4' energy: -162.819 flat angles P-C4'-P energy: -111.263 tors. eta vs tors. theta energy: -182.117 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: 8 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -2236.527436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.527436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.527436 (E_RNA) where: Base-Base interactions energy: -1518.726 where: short stacking energy: -644.427 Base-Backbone interact. energy: -5.301 local terms energy: -712.500328 where: bonds (distance) C4'-P energy: -137.752 bonds (distance) P-C4' energy: -137.785 flat angles C4'-P-C4' energy: -151.057 flat angles P-C4'-P energy: -106.543 tors. eta vs tors. theta energy: -179.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -2037.443863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.443863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.443863 (E_RNA) where: Base-Base interactions energy: -1399.638 where: short stacking energy: -629.772 Base-Backbone interact. energy: 3.568 local terms energy: -641.373811 where: bonds (distance) C4'-P energy: -121.577 bonds (distance) P-C4' energy: -154.268 flat angles C4'-P-C4' energy: -139.273 flat angles P-C4'-P energy: -72.558 tors. eta vs tors. theta energy: -153.698 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: 8, replica: 2 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1708.109000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.109000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.109000 (E_RNA) where: Base-Base interactions energy: -1132.444 where: short stacking energy: -497.240 Base-Backbone interact. energy: -2.027 local terms energy: -573.638550 where: bonds (distance) C4'-P energy: -134.891 bonds (distance) P-C4' energy: -134.037 flat angles C4'-P-C4' energy: -131.052 flat angles P-C4'-P energy: -76.723 tors. eta vs tors. theta energy: -96.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1454.679011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.679011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.679011 (E_RNA) where: Base-Base interactions energy: -897.260 where: short stacking energy: -413.381 Base-Backbone interact. energy: 0.481 local terms energy: -557.899886 where: bonds (distance) C4'-P energy: -138.197 bonds (distance) P-C4' energy: -152.186 flat angles C4'-P-C4' energy: -139.391 flat angles P-C4'-P energy: -63.368 tors. eta vs tors. theta energy: -64.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -996.787662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.787662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.787662 (E_RNA) where: Base-Base interactions energy: -560.571 where: short stacking energy: -295.543 Base-Backbone interact. energy: -0.108 local terms energy: -436.108003 where: bonds (distance) C4'-P energy: -125.936 bonds (distance) P-C4' energy: -138.310 flat angles C4'-P-C4' energy: -98.968 flat angles P-C4'-P energy: -46.350 tors. eta vs tors. theta energy: -26.544 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: 3 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -3064.745808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.745808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.745808 (E_RNA) where: Base-Base interactions energy: -2175.957 where: short stacking energy: -879.768 Base-Backbone interact. energy: -5.342 local terms energy: -883.446840 where: bonds (distance) C4'-P energy: -165.439 bonds (distance) P-C4' energy: -176.255 flat angles C4'-P-C4' energy: -189.418 flat angles P-C4'-P energy: -121.498 tors. eta vs tors. theta energy: -230.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2812.871066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.871066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.871066 (E_RNA) where: Base-Base interactions energy: -1915.450 where: short stacking energy: -816.712 Base-Backbone interact. energy: -0.010 local terms energy: -897.410898 where: bonds (distance) C4'-P energy: -166.523 bonds (distance) P-C4' energy: -159.845 flat angles C4'-P-C4' energy: -188.323 flat angles P-C4'-P energy: -145.305 tors. eta vs tors. theta energy: -237.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2712.906640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.906640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.906640 (E_RNA) where: Base-Base interactions energy: -1916.229 where: short stacking energy: -769.385 Base-Backbone interact. energy: -4.697 local terms energy: -791.979956 where: bonds (distance) C4'-P energy: -147.289 bonds (distance) P-C4' energy: -156.906 flat angles C4'-P-C4' energy: -169.585 flat angles P-C4'-P energy: -105.979 tors. eta vs tors. theta energy: -212.221 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: 7 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2537.439244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.439244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.439244 (E_RNA) where: Base-Base interactions energy: -1746.695 where: short stacking energy: -699.589 Base-Backbone interact. energy: -0.959 local terms energy: -789.785582 where: bonds (distance) C4'-P energy: -151.054 bonds (distance) P-C4' energy: -158.018 flat angles C4'-P-C4' energy: -181.723 flat angles P-C4'-P energy: -105.112 tors. eta vs tors. theta energy: -193.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2431.005262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.005262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.005262 (E_RNA) where: Base-Base interactions energy: -1676.988 where: short stacking energy: -690.613 Base-Backbone interact. energy: 0.247 local terms energy: -754.263493 where: bonds (distance) C4'-P energy: -137.928 bonds (distance) P-C4' energy: -157.471 flat angles C4'-P-C4' energy: -164.538 flat angles P-C4'-P energy: -114.161 tors. eta vs tors. theta energy: -180.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -2227.153000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.153000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.153000 (E_RNA) where: Base-Base interactions energy: -1560.173 where: short stacking energy: -648.892 Base-Backbone interact. energy: -1.084 local terms energy: -665.895919 where: bonds (distance) C4'-P energy: -103.814 bonds (distance) P-C4' energy: -145.304 flat angles C4'-P-C4' energy: -156.127 flat angles P-C4'-P energy: -103.332 tors. eta vs tors. theta energy: -157.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -2055.260392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.260392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.260392 (E_RNA) where: Base-Base interactions energy: -1390.693 where: short stacking energy: -593.138 Base-Backbone interact. energy: -3.437 local terms energy: -661.130068 where: bonds (distance) C4'-P energy: -121.663 bonds (distance) P-C4' energy: -159.322 flat angles C4'-P-C4' energy: -143.551 flat angles P-C4'-P energy: -82.862 tors. eta vs tors. theta energy: -153.733 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: 2 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1755.501879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.501879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.501879 (E_RNA) where: Base-Base interactions energy: -1143.248 where: short stacking energy: -497.748 Base-Backbone interact. energy: -4.612 local terms energy: -607.641901 where: bonds (distance) C4'-P energy: -133.864 bonds (distance) P-C4' energy: -155.485 flat angles C4'-P-C4' energy: -134.155 flat angles P-C4'-P energy: -81.054 tors. eta vs tors. theta energy: -103.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1419.451477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.451477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.451477 (E_RNA) where: Base-Base interactions energy: -885.033 where: short stacking energy: -402.912 Base-Backbone interact. energy: 0.362 local terms energy: -534.780333 where: bonds (distance) C4'-P energy: -123.371 bonds (distance) P-C4' energy: -127.941 flat angles C4'-P-C4' energy: -132.517 flat angles P-C4'-P energy: -98.857 tors. eta vs tors. theta energy: -52.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -1008.195247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.195247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.195247 (E_RNA) where: Base-Base interactions energy: -575.193 where: short stacking energy: -317.440 Base-Backbone interact. energy: -0.999 local terms energy: -432.002258 where: bonds (distance) C4'-P energy: -138.765 bonds (distance) P-C4' energy: -122.898 flat angles C4'-P-C4' energy: -97.217 flat angles P-C4'-P energy: -68.853 tors. eta vs tors. theta energy: -4.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -3032.204124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.204124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.204124 (E_RNA) where: Base-Base interactions energy: -2122.358 where: short stacking energy: -858.416 Base-Backbone interact. energy: -9.511 local terms energy: -900.334943 where: bonds (distance) C4'-P energy: -164.464 bonds (distance) P-C4' energy: -158.752 flat angles C4'-P-C4' energy: -193.930 flat angles P-C4'-P energy: -138.449 tors. eta vs tors. theta energy: -244.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2792.959581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.959581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.959581 (E_RNA) where: Base-Base interactions energy: -1930.018 where: short stacking energy: -821.381 Base-Backbone interact. energy: -2.459 local terms energy: -860.483307 where: bonds (distance) C4'-P energy: -152.408 bonds (distance) P-C4' energy: -166.676 flat angles C4'-P-C4' energy: -187.707 flat angles P-C4'-P energy: -132.918 tors. eta vs tors. theta energy: -220.774 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: 226 Temperature: 1.000000 Total energy: -2723.008322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.008322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.008322 (E_RNA) where: Base-Base interactions energy: -1895.436 where: short stacking energy: -796.811 Base-Backbone interact. energy: -5.350 local terms energy: -822.222908 where: bonds (distance) C4'-P energy: -151.021 bonds (distance) P-C4' energy: -164.403 flat angles C4'-P-C4' energy: -180.221 flat angles P-C4'-P energy: -118.133 tors. eta vs tors. theta energy: -208.445 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: 7 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2541.968341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.968341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.968341 (E_RNA) where: Base-Base interactions energy: -1758.762 where: short stacking energy: -720.196 Base-Backbone interact. energy: -2.917 local terms energy: -780.289916 where: bonds (distance) C4'-P energy: -154.045 bonds (distance) P-C4' energy: -146.131 flat angles C4'-P-C4' energy: -178.710 flat angles P-C4'-P energy: -96.674 tors. eta vs tors. theta energy: -204.730 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: 4 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2473.599665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.599665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.599665 (E_RNA) where: Base-Base interactions energy: -1715.687 where: short stacking energy: -726.507 Base-Backbone interact. energy: -0.104 local terms energy: -757.809086 where: bonds (distance) C4'-P energy: -148.782 bonds (distance) P-C4' energy: -143.774 flat angles C4'-P-C4' energy: -157.518 flat angles P-C4'-P energy: -105.938 tors. eta vs tors. theta energy: -201.796 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: 8 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -2230.100888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.100888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.100888 (E_RNA) where: Base-Base interactions energy: -1511.243 where: short stacking energy: -645.858 Base-Backbone interact. energy: 5.959 local terms energy: -724.817035 where: bonds (distance) C4'-P energy: -140.213 bonds (distance) P-C4' energy: -158.610 flat angles C4'-P-C4' energy: -151.143 flat angles P-C4'-P energy: -108.423 tors. eta vs tors. theta energy: -166.428 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: 226 Temperature: 1.200000 Total energy: -2049.810398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.810398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.810398 (E_RNA) where: Base-Base interactions energy: -1388.791 where: short stacking energy: -594.014 Base-Backbone interact. energy: 2.021 local terms energy: -663.040942 where: bonds (distance) C4'-P energy: -110.868 bonds (distance) P-C4' energy: -162.395 flat angles C4'-P-C4' energy: -144.622 flat angles P-C4'-P energy: -92.991 tors. eta vs tors. theta energy: -152.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1783.247771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.247771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.247771 (E_RNA) where: Base-Base interactions energy: -1180.936 where: short stacking energy: -519.609 Base-Backbone interact. energy: -0.512 local terms energy: -601.800241 where: bonds (distance) C4'-P energy: -130.880 bonds (distance) P-C4' energy: -134.629 flat angles C4'-P-C4' energy: -138.137 flat angles P-C4'-P energy: -87.130 tors. eta vs tors. theta energy: -111.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1373.172610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.172610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.172610 (E_RNA) where: Base-Base interactions energy: -829.191 where: short stacking energy: -382.267 Base-Backbone interact. energy: 10.723 local terms energy: -554.705020 where: bonds (distance) C4'-P energy: -139.809 bonds (distance) P-C4' energy: -146.815 flat angles C4'-P-C4' energy: -120.621 flat angles P-C4'-P energy: -90.343 tors. eta vs tors. theta energy: -57.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -927.026880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.026880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.026880 (E_RNA) where: Base-Base interactions energy: -453.963 where: short stacking energy: -239.563 Base-Backbone interact. energy: 5.069 local terms energy: -478.132878 where: bonds (distance) C4'-P energy: -146.873 bonds (distance) P-C4' energy: -136.678 flat angles C4'-P-C4' energy: -156.117 flat angles P-C4'-P energy: -39.903 tors. eta vs tors. theta energy: 1.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -3061.657930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.657930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.657930 (E_RNA) where: Base-Base interactions energy: -2167.417 where: short stacking energy: -857.461 Base-Backbone interact. energy: -6.155 local terms energy: -888.085948 where: bonds (distance) C4'-P energy: -156.248 bonds (distance) P-C4' energy: -173.135 flat angles C4'-P-C4' energy: -187.862 flat angles P-C4'-P energy: -131.226 tors. eta vs tors. theta energy: -239.616 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: 5 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2823.172412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.172412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.172412 (E_RNA) where: Base-Base interactions energy: -1986.022 where: short stacking energy: -832.083 Base-Backbone interact. energy: -7.647 local terms energy: -829.503465 where: bonds (distance) C4'-P energy: -146.538 bonds (distance) P-C4' energy: -153.251 flat angles C4'-P-C4' energy: -186.643 flat angles P-C4'-P energy: -112.633 tors. eta vs tors. theta energy: -230.439 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: 1 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2723.870567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.870567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.870567 (E_RNA) where: Base-Base interactions energy: -1877.133 where: short stacking energy: -808.133 Base-Backbone interact. energy: -2.951 local terms energy: -843.786513 where: bonds (distance) C4'-P energy: -161.165 bonds (distance) P-C4' energy: -153.921 flat angles C4'-P-C4' energy: -175.905 flat angles P-C4'-P energy: -123.547 tors. eta vs tors. theta energy: -229.248 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: 4, replica: 7 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2523.913186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.913186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.913186 (E_RNA) where: Base-Base interactions energy: -1731.304 where: short stacking energy: -720.359 Base-Backbone interact. energy: 1.261 local terms energy: -793.870214 where: bonds (distance) C4'-P energy: -146.414 bonds (distance) P-C4' energy: -164.974 flat angles C4'-P-C4' energy: -169.406 flat angles P-C4'-P energy: -116.282 tors. eta vs tors. theta energy: -196.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2462.040533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.040533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.040533 (E_RNA) where: Base-Base interactions energy: -1680.245 where: short stacking energy: -728.161 Base-Backbone interact. energy: -2.630 local terms energy: -779.165719 where: bonds (distance) C4'-P energy: -147.287 bonds (distance) P-C4' energy: -160.552 flat angles C4'-P-C4' energy: -160.057 flat angles P-C4'-P energy: -113.134 tors. eta vs tors. theta energy: -198.135 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: 8 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -2303.311581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.311581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.311581 (E_RNA) where: Base-Base interactions energy: -1584.062 where: short stacking energy: -696.098 Base-Backbone interact. energy: 2.246 local terms energy: -721.495318 where: bonds (distance) C4'-P energy: -126.555 bonds (distance) P-C4' energy: -167.105 flat angles C4'-P-C4' energy: -169.427 flat angles P-C4'-P energy: -88.764 tors. eta vs tors. theta energy: -169.644 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: 7, replica: 6 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1974.239548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.239548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.239548 (E_RNA) where: Base-Base interactions energy: -1270.682 where: short stacking energy: -565.928 Base-Backbone interact. energy: 3.246 local terms energy: -706.803804 where: bonds (distance) C4'-P energy: -154.872 bonds (distance) P-C4' energy: -167.977 flat angles C4'-P-C4' energy: -149.754 flat angles P-C4'-P energy: -96.384 tors. eta vs tors. theta energy: -137.817 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: 2 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1688.787821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.787821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.787821 (E_RNA) where: Base-Base interactions energy: -1122.456 where: short stacking energy: -507.389 Base-Backbone interact. energy: -1.909 local terms energy: -564.423118 where: bonds (distance) C4'-P energy: -123.964 bonds (distance) P-C4' energy: -147.420 flat angles C4'-P-C4' energy: -130.940 flat angles P-C4'-P energy: -70.584 tors. eta vs tors. theta energy: -91.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1406.792144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.792144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.792144 (E_RNA) where: Base-Base interactions energy: -845.635 where: short stacking energy: -401.617 Base-Backbone interact. energy: 5.600 local terms energy: -566.757742 where: bonds (distance) C4'-P energy: -145.160 bonds (distance) P-C4' energy: -139.082 flat angles C4'-P-C4' energy: -129.693 flat angles P-C4'-P energy: -86.532 tors. eta vs tors. theta energy: -66.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -950.821914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.821914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.821914 (E_RNA) where: Base-Base interactions energy: -518.383 where: short stacking energy: -285.926 Base-Backbone interact. energy: 0.956 local terms energy: -433.395678 where: bonds (distance) C4'-P energy: -119.507 bonds (distance) P-C4' energy: -135.456 flat angles C4'-P-C4' energy: -101.026 flat angles P-C4'-P energy: -80.734 tors. eta vs tors. theta energy: 3.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -3064.008498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.008498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.008498 (E_RNA) where: Base-Base interactions energy: -2187.145 where: short stacking energy: -869.567 Base-Backbone interact. energy: 3.242 local terms energy: -880.106182 where: bonds (distance) C4'-P energy: -158.461 bonds (distance) P-C4' energy: -168.956 flat angles C4'-P-C4' energy: -184.814 flat angles P-C4'-P energy: -130.747 tors. eta vs tors. theta energy: -237.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2815.802210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.802210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.802210 (E_RNA) where: Base-Base interactions energy: -1970.720 where: short stacking energy: -813.422 Base-Backbone interact. energy: -2.861 local terms energy: -842.221988 where: bonds (distance) C4'-P energy: -161.752 bonds (distance) P-C4' energy: -152.487 flat angles C4'-P-C4' energy: -193.449 flat angles P-C4'-P energy: -118.384 tors. eta vs tors. theta energy: -216.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2697.760184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.760184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.760184 (E_RNA) where: Base-Base interactions energy: -1857.717 where: short stacking energy: -803.231 Base-Backbone interact. energy: -5.098 local terms energy: -834.944964 where: bonds (distance) C4'-P energy: -154.001 bonds (distance) P-C4' energy: -138.877 flat angles C4'-P-C4' energy: -192.665 flat angles P-C4'-P energy: -123.453 tors. eta vs tors. theta energy: -225.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2516.942230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.942230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.942230 (E_RNA) where: Base-Base interactions energy: -1745.450 where: short stacking energy: -730.394 Base-Backbone interact. energy: -0.783 local terms energy: -770.709034 where: bonds (distance) C4'-P energy: -145.627 bonds (distance) P-C4' energy: -163.946 flat angles C4'-P-C4' energy: -162.361 flat angles P-C4'-P energy: -110.325 tors. eta vs tors. theta energy: -188.450 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: 4 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2399.829188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.829188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.829188 (E_RNA) where: Base-Base interactions energy: -1651.158 where: short stacking energy: -685.515 Base-Backbone interact. energy: -3.466 local terms energy: -745.205062 where: bonds (distance) C4'-P energy: -128.879 bonds (distance) P-C4' energy: -159.575 flat angles C4'-P-C4' energy: -175.386 flat angles P-C4'-P energy: -100.385 tors. eta vs tors. theta energy: -180.979 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: 8 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -2258.393564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.393564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.393564 (E_RNA) where: Base-Base interactions energy: -1532.756 where: short stacking energy: -663.426 Base-Backbone interact. energy: -2.649 local terms energy: -722.988677 where: bonds (distance) C4'-P energy: -137.677 bonds (distance) P-C4' energy: -150.497 flat angles C4'-P-C4' energy: -145.740 flat angles P-C4'-P energy: -121.051 tors. eta vs tors. theta energy: -168.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -2072.981958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.981958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.981958 (E_RNA) where: Base-Base interactions energy: -1381.653 where: short stacking energy: -629.178 Base-Backbone interact. energy: 0.148 local terms energy: -691.477053 where: bonds (distance) C4'-P energy: -137.625 bonds (distance) P-C4' energy: -142.976 flat angles C4'-P-C4' energy: -163.586 flat angles P-C4'-P energy: -93.655 tors. eta vs tors. theta energy: -153.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1646.899987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.899987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.899987 (E_RNA) where: Base-Base interactions energy: -1052.082 where: short stacking energy: -481.588 Base-Backbone interact. energy: -2.999 local terms energy: -591.819429 where: bonds (distance) C4'-P energy: -121.658 bonds (distance) P-C4' energy: -152.058 flat angles C4'-P-C4' energy: -153.930 flat angles P-C4'-P energy: -61.912 tors. eta vs tors. theta energy: -102.262 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: 228 Temperature: 1.300000 Total energy: -1373.422658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.422658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.422658 (E_RNA) where: Base-Base interactions energy: -828.626 where: short stacking energy: -393.700 Base-Backbone interact. energy: 0.130 local terms energy: -544.926580 where: bonds (distance) C4'-P energy: -133.905 bonds (distance) P-C4' energy: -146.895 flat angles C4'-P-C4' energy: -127.388 flat angles P-C4'-P energy: -88.048 tors. eta vs tors. theta energy: -48.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -920.692626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.692626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.692626 (E_RNA) where: Base-Base interactions energy: -447.890 where: short stacking energy: -259.024 Base-Backbone interact. energy: 0.736 local terms energy: -473.538345 where: bonds (distance) C4'-P energy: -139.900 bonds (distance) P-C4' energy: -148.787 flat angles C4'-P-C4' energy: -119.156 flat angles P-C4'-P energy: -62.842 tors. eta vs tors. theta energy: -2.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -3056.293477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.293477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.293477 (E_RNA) where: Base-Base interactions energy: -2156.436 where: short stacking energy: -847.359 Base-Backbone interact. energy: -7.608 local terms energy: -892.249554 where: bonds (distance) C4'-P energy: -163.769 bonds (distance) P-C4' energy: -174.053 flat angles C4'-P-C4' energy: -187.749 flat angles P-C4'-P energy: -131.617 tors. eta vs tors. theta energy: -235.062 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: 229 Temperature: 0.950000 Total energy: -2784.010136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.010136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.010136 (E_RNA) where: Base-Base interactions energy: -1950.740 where: short stacking energy: -817.771 Base-Backbone interact. energy: -3.273 local terms energy: -829.996803 where: bonds (distance) C4'-P energy: -150.954 bonds (distance) P-C4' energy: -147.149 flat angles C4'-P-C4' energy: -180.356 flat angles P-C4'-P energy: -122.730 tors. eta vs tors. theta energy: -228.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2752.545227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.545227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.545227 (E_RNA) where: Base-Base interactions energy: -1884.993 where: short stacking energy: -823.666 Base-Backbone interact. energy: -4.218 local terms energy: -863.334545 where: bonds (distance) C4'-P energy: -157.836 bonds (distance) P-C4' energy: -170.049 flat angles C4'-P-C4' energy: -195.868 flat angles P-C4'-P energy: -111.004 tors. eta vs tors. theta energy: -228.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2535.430535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.430535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.430535 (E_RNA) where: Base-Base interactions energy: -1753.170 where: short stacking energy: -736.914 Base-Backbone interact. energy: -1.383 local terms energy: -780.876977 where: bonds (distance) C4'-P energy: -138.207 bonds (distance) P-C4' energy: -152.961 flat angles C4'-P-C4' energy: -163.909 flat angles P-C4'-P energy: -115.289 tors. eta vs tors. theta energy: -210.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2457.430029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.430029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.430029 (E_RNA) where: Base-Base interactions energy: -1716.209 where: short stacking energy: -712.686 Base-Backbone interact. energy: -1.330 local terms energy: -739.890577 where: bonds (distance) C4'-P energy: -116.474 bonds (distance) P-C4' energy: -146.805 flat angles C4'-P-C4' energy: -175.176 flat angles P-C4'-P energy: -118.844 tors. eta vs tors. theta energy: -182.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -2214.124676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.124676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.124676 (E_RNA) where: Base-Base interactions energy: -1527.118 where: short stacking energy: -651.544 Base-Backbone interact. energy: -1.805 local terms energy: -685.201926 where: bonds (distance) C4'-P energy: -137.281 bonds (distance) P-C4' energy: -143.727 flat angles C4'-P-C4' energy: -140.777 flat angles P-C4'-P energy: -96.860 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: 7, replica: 6 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -2051.792415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.792415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.792415 (E_RNA) where: Base-Base interactions energy: -1365.769 where: short stacking energy: -612.535 Base-Backbone interact. energy: -3.032 local terms energy: -682.991749 where: bonds (distance) C4'-P energy: -131.018 bonds (distance) P-C4' energy: -159.661 flat angles C4'-P-C4' energy: -145.105 flat angles P-C4'-P energy: -92.888 tors. eta vs tors. theta energy: -154.320 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: 8, replica: 2 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1724.650287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.650287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.650287 (E_RNA) where: Base-Base interactions energy: -1113.725 where: short stacking energy: -499.725 Base-Backbone interact. energy: -1.085 local terms energy: -609.840525 where: bonds (distance) C4'-P energy: -134.500 bonds (distance) P-C4' energy: -143.292 flat angles C4'-P-C4' energy: -136.837 flat angles P-C4'-P energy: -89.758 tors. eta vs tors. theta energy: -105.454 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: 229 Temperature: 1.300000 Total energy: -1389.660628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.660628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.660628 (E_RNA) where: Base-Base interactions energy: -854.535 where: short stacking energy: -405.205 Base-Backbone interact. energy: 4.356 local terms energy: -539.481629 where: bonds (distance) C4'-P energy: -133.252 bonds (distance) P-C4' energy: -125.195 flat angles C4'-P-C4' energy: -146.968 flat angles P-C4'-P energy: -67.471 tors. eta vs tors. theta energy: -66.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -947.326033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.326033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.326033 (E_RNA) where: Base-Base interactions energy: -499.126 where: short stacking energy: -251.335 Base-Backbone interact. energy: 3.239 local terms energy: -451.438991 where: bonds (distance) C4'-P energy: -113.651 bonds (distance) P-C4' energy: -152.131 flat angles C4'-P-C4' energy: -97.335 flat angles P-C4'-P energy: -90.868 tors. eta vs tors. theta energy: 2.546 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: 3 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -3058.566463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3058.566463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3058.566463 (E_RNA) where: Base-Base interactions energy: -2186.788 where: short stacking energy: -859.590 Base-Backbone interact. energy: -4.995 local terms energy: -866.783836 where: bonds (distance) C4'-P energy: -166.848 bonds (distance) P-C4' energy: -147.412 flat angles C4'-P-C4' energy: -190.159 flat angles P-C4'-P energy: -120.350 tors. eta vs tors. theta energy: -242.015 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: 5 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2783.111783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.111783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.111783 (E_RNA) where: Base-Base interactions energy: -1923.616 where: short stacking energy: -809.391 Base-Backbone interact. energy: -0.385 local terms energy: -859.110389 where: bonds (distance) C4'-P energy: -151.206 bonds (distance) P-C4' energy: -170.152 flat angles C4'-P-C4' energy: -190.893 flat angles P-C4'-P energy: -124.863 tors. eta vs tors. theta energy: -221.996 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: 1 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2704.845194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.845194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.845194 (E_RNA) where: Base-Base interactions energy: -1892.140 where: short stacking energy: -796.669 Base-Backbone interact. energy: -6.091 local terms energy: -806.614186 where: bonds (distance) C4'-P energy: -143.023 bonds (distance) P-C4' energy: -141.372 flat angles C4'-P-C4' energy: -180.457 flat angles P-C4'-P energy: -112.191 tors. eta vs tors. theta energy: -229.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2552.235187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.235187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.235187 (E_RNA) where: Base-Base interactions energy: -1806.223 where: short stacking energy: -723.161 Base-Backbone interact. energy: -5.091 local terms energy: -740.921563 where: bonds (distance) C4'-P energy: -126.534 bonds (distance) P-C4' energy: -149.975 flat angles C4'-P-C4' energy: -161.269 flat angles P-C4'-P energy: -113.448 tors. eta vs tors. theta energy: -189.695 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: 230 Temperature: 1.100000 Total energy: -2420.362992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.362992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.362992 (E_RNA) where: Base-Base interactions energy: -1715.908 where: short stacking energy: -693.969 Base-Backbone interact. energy: 0.434 local terms energy: -704.888508 where: bonds (distance) C4'-P energy: -129.151 bonds (distance) P-C4' energy: -151.404 flat angles C4'-P-C4' energy: -139.377 flat angles P-C4'-P energy: -109.795 tors. eta vs tors. theta energy: -175.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -2258.556771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.556771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.556771 (E_RNA) where: Base-Base interactions energy: -1512.613 where: short stacking energy: -669.630 Base-Backbone interact. energy: -3.565 local terms energy: -742.378973 where: bonds (distance) C4'-P energy: -120.303 bonds (distance) P-C4' energy: -172.438 flat angles C4'-P-C4' energy: -157.432 flat angles P-C4'-P energy: -121.085 tors. eta vs tors. theta energy: -171.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -2036.283547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.283547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.283547 (E_RNA) where: Base-Base interactions energy: -1342.222 where: short stacking energy: -599.251 Base-Backbone interact. energy: -5.086 local terms energy: -688.975932 where: bonds (distance) C4'-P energy: -128.549 bonds (distance) P-C4' energy: -140.513 flat angles C4'-P-C4' energy: -160.785 flat angles P-C4'-P energy: -98.091 tors. eta vs tors. theta energy: -161.038 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: 2 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1641.063771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.063771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.063771 (E_RNA) where: Base-Base interactions energy: -1038.940 where: short stacking energy: -471.942 Base-Backbone interact. energy: -1.823 local terms energy: -600.300345 where: bonds (distance) C4'-P energy: -127.060 bonds (distance) P-C4' energy: -153.386 flat angles C4'-P-C4' energy: -133.708 flat angles P-C4'-P energy: -94.577 tors. eta vs tors. theta energy: -91.569 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: 230 Temperature: 1.300000 Total energy: -1375.724913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.724913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.724913 (E_RNA) where: Base-Base interactions energy: -829.753 where: short stacking energy: -400.097 Base-Backbone interact. energy: 0.334 local terms energy: -546.305927 where: bonds (distance) C4'-P energy: -128.870 bonds (distance) P-C4' energy: -148.756 flat angles C4'-P-C4' energy: -126.044 flat angles P-C4'-P energy: -66.226 tors. eta vs tors. theta energy: -76.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -966.088855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.088855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.088855 (E_RNA) where: Base-Base interactions energy: -491.569 where: short stacking energy: -275.283 Base-Backbone interact. energy: 6.359 local terms energy: -480.878585 where: bonds (distance) C4'-P energy: -134.738 bonds (distance) P-C4' energy: -146.670 flat angles C4'-P-C4' energy: -87.478 flat angles P-C4'-P energy: -76.312 tors. eta vs tors. theta energy: -35.681 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: 3 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -3078.979274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.979274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.979274 (E_RNA) where: Base-Base interactions energy: -2215.620 where: short stacking energy: -859.752 Base-Backbone interact. energy: -6.465 local terms energy: -856.893965 where: bonds (distance) C4'-P energy: -152.615 bonds (distance) P-C4' energy: -162.339 flat angles C4'-P-C4' energy: -179.779 flat angles P-C4'-P energy: -130.913 tors. eta vs tors. theta energy: -231.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2839.575013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.575013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.575013 (E_RNA) where: Base-Base interactions energy: -1955.270 where: short stacking energy: -829.190 Base-Backbone interact. energy: -8.325 local terms energy: -875.979902 where: bonds (distance) C4'-P energy: -165.201 bonds (distance) P-C4' energy: -186.724 flat angles C4'-P-C4' energy: -180.644 flat angles P-C4'-P energy: -118.996 tors. eta vs tors. theta energy: -224.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2750.132093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.132093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.132093 (E_RNA) where: Base-Base interactions energy: -1908.305 where: short stacking energy: -803.656 Base-Backbone interact. energy: -0.931 local terms energy: -840.896198 where: bonds (distance) C4'-P energy: -146.868 bonds (distance) P-C4' energy: -158.370 flat angles C4'-P-C4' energy: -189.483 flat angles P-C4'-P energy: -120.193 tors. eta vs tors. theta energy: -225.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2558.049507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.049507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.049507 (E_RNA) where: Base-Base interactions energy: -1740.408 where: short stacking energy: -733.279 Base-Backbone interact. energy: -5.033 local terms energy: -812.608277 where: bonds (distance) C4'-P energy: -157.289 bonds (distance) P-C4' energy: -166.068 flat angles C4'-P-C4' energy: -177.967 flat angles P-C4'-P energy: -119.794 tors. eta vs tors. theta energy: -191.491 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: 231 Temperature: 1.100000 Total energy: -2399.941771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.941771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.941771 (E_RNA) where: Base-Base interactions energy: -1649.310 where: short stacking energy: -714.424 Base-Backbone interact. energy: -1.181 local terms energy: -749.450888 where: bonds (distance) C4'-P energy: -144.601 bonds (distance) P-C4' energy: -151.330 flat angles C4'-P-C4' energy: -172.943 flat angles P-C4'-P energy: -101.136 tors. eta vs tors. theta energy: -179.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -2293.026861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.026861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.026861 (E_RNA) where: Base-Base interactions energy: -1579.312 where: short stacking energy: -658.997 Base-Backbone interact. energy: -2.298 local terms energy: -711.417384 where: bonds (distance) C4'-P energy: -138.505 bonds (distance) P-C4' energy: -159.779 flat angles C4'-P-C4' energy: -149.741 flat angles P-C4'-P energy: -80.784 tors. eta vs tors. theta energy: -182.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1976.156890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.156890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.156890 (E_RNA) where: Base-Base interactions energy: -1283.564 where: short stacking energy: -571.538 Base-Backbone interact. energy: 1.964 local terms energy: -694.557420 where: bonds (distance) C4'-P energy: -143.412 bonds (distance) P-C4' energy: -151.940 flat angles C4'-P-C4' energy: -149.505 flat angles P-C4'-P energy: -101.141 tors. eta vs tors. theta energy: -148.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1660.124611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.124611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.124611 (E_RNA) where: Base-Base interactions energy: -1060.209 where: short stacking energy: -499.116 Base-Backbone interact. energy: -0.003 local terms energy: -599.912596 where: bonds (distance) C4'-P energy: -152.337 bonds (distance) P-C4' energy: -144.084 flat angles C4'-P-C4' energy: -111.774 flat angles P-C4'-P energy: -98.199 tors. eta vs tors. theta energy: -93.518 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: 9, replica: 9 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1459.322494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.322494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.322494 (E_RNA) where: Base-Base interactions energy: -877.704 where: short stacking energy: -416.231 Base-Backbone interact. energy: 0.178 local terms energy: -581.795883 where: bonds (distance) C4'-P energy: -134.294 bonds (distance) P-C4' energy: -155.420 flat angles C4'-P-C4' energy: -127.862 flat angles P-C4'-P energy: -94.693 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: 10, replica: 10 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -980.123178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.123178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.123178 (E_RNA) where: Base-Base interactions energy: -514.209 where: short stacking energy: -282.716 Base-Backbone interact. energy: 0.882 local terms energy: -466.796212 where: bonds (distance) C4'-P energy: -121.764 bonds (distance) P-C4' energy: -136.641 flat angles C4'-P-C4' energy: -125.146 flat angles P-C4'-P energy: -74.481 tors. eta vs tors. theta energy: -8.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -3055.571612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.571612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.571612 (E_RNA) where: Base-Base interactions energy: -2170.814 where: short stacking energy: -880.042 Base-Backbone interact. energy: -6.178 local terms energy: -878.579745 where: bonds (distance) C4'-P energy: -160.994 bonds (distance) P-C4' energy: -169.525 flat angles C4'-P-C4' energy: -189.937 flat angles P-C4'-P energy: -129.207 tors. eta vs tors. theta energy: -228.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2837.295795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.295795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.295795 (E_RNA) where: Base-Base interactions energy: -1969.879 where: short stacking energy: -852.790 Base-Backbone interact. energy: -1.872 local terms energy: -865.544760 where: bonds (distance) C4'-P energy: -170.973 bonds (distance) P-C4' energy: -163.071 flat angles C4'-P-C4' energy: -183.817 flat angles P-C4'-P energy: -115.898 tors. eta vs tors. theta energy: -231.785 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: 1 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2674.598004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.598004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.598004 (E_RNA) where: Base-Base interactions energy: -1853.064 where: short stacking energy: -761.507 Base-Backbone interact. energy: -3.069 local terms energy: -818.465636 where: bonds (distance) C4'-P energy: -165.317 bonds (distance) P-C4' energy: -153.290 flat angles C4'-P-C4' energy: -175.550 flat angles P-C4'-P energy: -115.554 tors. eta vs tors. theta energy: -208.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2528.328875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.328875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.328875 (E_RNA) where: Base-Base interactions energy: -1743.251 where: short stacking energy: -721.506 Base-Backbone interact. energy: -2.894 local terms energy: -782.183643 where: bonds (distance) C4'-P energy: -145.007 bonds (distance) P-C4' energy: -162.971 flat angles C4'-P-C4' energy: -169.497 flat angles P-C4'-P energy: -109.123 tors. eta vs tors. theta energy: -195.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2415.736045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.736045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.736045 (E_RNA) where: Base-Base interactions energy: -1689.846 where: short stacking energy: -705.090 Base-Backbone interact. energy: -2.849 local terms energy: -723.041404 where: bonds (distance) C4'-P energy: -136.246 bonds (distance) P-C4' energy: -153.323 flat angles C4'-P-C4' energy: -156.844 flat angles P-C4'-P energy: -98.408 tors. eta vs tors. theta energy: -178.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -2270.970413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.970413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.970413 (E_RNA) where: Base-Base interactions energy: -1570.228 where: short stacking energy: -651.394 Base-Backbone interact. energy: 2.006 local terms energy: -702.747641 where: bonds (distance) C4'-P energy: -139.887 bonds (distance) P-C4' energy: -151.927 flat angles C4'-P-C4' energy: -154.425 flat angles P-C4'-P energy: -89.323 tors. eta vs tors. theta energy: -167.186 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: 232 Temperature: 1.200000 Total energy: -1961.058073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.058073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.058073 (E_RNA) where: Base-Base interactions energy: -1304.806 where: short stacking energy: -574.669 Base-Backbone interact. energy: -2.030 local terms energy: -654.222369 where: bonds (distance) C4'-P energy: -119.981 bonds (distance) P-C4' energy: -151.132 flat angles C4'-P-C4' energy: -144.671 flat angles P-C4'-P energy: -96.965 tors. eta vs tors. theta energy: -141.473 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: 8, replica: 2 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1630.140679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.140679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.140679 (E_RNA) where: Base-Base interactions energy: -1051.198 where: short stacking energy: -444.015 Base-Backbone interact. energy: -0.874 local terms energy: -578.068750 where: bonds (distance) C4'-P energy: -145.831 bonds (distance) P-C4' energy: -154.075 flat angles C4'-P-C4' energy: -103.009 flat angles P-C4'-P energy: -89.903 tors. eta vs tors. theta energy: -85.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1334.061948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.061948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.061948 (E_RNA) where: Base-Base interactions energy: -815.438 where: short stacking energy: -400.496 Base-Backbone interact. energy: 3.710 local terms energy: -522.333643 where: bonds (distance) C4'-P energy: -122.147 bonds (distance) P-C4' energy: -129.052 flat angles C4'-P-C4' energy: -131.780 flat angles P-C4'-P energy: -81.266 tors. eta vs tors. theta energy: -58.087 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: 10, replica: 10 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -952.728238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.728238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.728238 (E_RNA) where: Base-Base interactions energy: -513.260 where: short stacking energy: -276.614 Base-Backbone interact. energy: 3.015 local terms energy: -442.482967 where: bonds (distance) C4'-P energy: -120.362 bonds (distance) P-C4' energy: -156.909 flat angles C4'-P-C4' energy: -107.911 flat angles P-C4'-P energy: -51.062 tors. eta vs tors. theta energy: -6.239 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: 1, replica: 3 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -3040.511764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.511764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.511764 (E_RNA) where: Base-Base interactions energy: -2137.714 where: short stacking energy: -851.212 Base-Backbone interact. energy: -3.423 local terms energy: -899.375065 where: bonds (distance) C4'-P energy: -164.818 bonds (distance) P-C4' energy: -180.654 flat angles C4'-P-C4' energy: -182.957 flat angles P-C4'-P energy: -138.010 tors. eta vs tors. theta energy: -232.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2806.631748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.631748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.631748 (E_RNA) where: Base-Base interactions energy: -1946.709 where: short stacking energy: -831.346 Base-Backbone interact. energy: -4.267 local terms energy: -855.655494 where: bonds (distance) C4'-P energy: -142.669 bonds (distance) P-C4' energy: -173.223 flat angles C4'-P-C4' energy: -178.266 flat angles P-C4'-P energy: -132.186 tors. eta vs tors. theta energy: -229.313 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: 3, replica: 1 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2763.971900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.971900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.971900 (E_RNA) where: Base-Base interactions energy: -1892.803 where: short stacking energy: -830.007 Base-Backbone interact. energy: -5.178 local terms energy: -865.990910 where: bonds (distance) C4'-P energy: -148.149 bonds (distance) P-C4' energy: -162.521 flat angles C4'-P-C4' energy: -196.133 flat angles P-C4'-P energy: -122.205 tors. eta vs tors. theta energy: -236.983 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: 4, replica: 7 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2556.878279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.878279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.878279 (E_RNA) where: Base-Base interactions energy: -1771.528 where: short stacking energy: -745.791 Base-Backbone interact. energy: -3.505 local terms energy: -781.845073 where: bonds (distance) C4'-P energy: -140.645 bonds (distance) P-C4' energy: -147.627 flat angles C4'-P-C4' energy: -169.811 flat angles P-C4'-P energy: -112.328 tors. eta vs tors. theta energy: -211.434 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: 5, replica: 4 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2464.500241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.500241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.500241 (E_RNA) where: Base-Base interactions energy: -1692.638 where: short stacking energy: -709.219 Base-Backbone interact. energy: -1.894 local terms energy: -769.968228 where: bonds (distance) C4'-P energy: -149.798 bonds (distance) P-C4' energy: -145.511 flat angles C4'-P-C4' energy: -168.190 flat angles P-C4'-P energy: -117.353 tors. eta vs tors. theta energy: -189.117 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: 8 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -2292.224684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.224684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.224684 (E_RNA) where: Base-Base interactions energy: -1580.618 where: short stacking energy: -679.538 Base-Backbone interact. energy: -2.208 local terms energy: -710.115811 where: bonds (distance) C4'-P energy: -131.764 bonds (distance) P-C4' energy: -125.288 flat angles C4'-P-C4' energy: -156.555 flat angles P-C4'-P energy: -106.288 tors. eta vs tors. theta energy: -190.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.717 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1935.300430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.300430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.300430 (E_RNA) where: Base-Base interactions energy: -1283.050 where: short stacking energy: -553.137 Base-Backbone interact. energy: 3.948 local terms energy: -656.198474 where: bonds (distance) C4'-P energy: -125.615 bonds (distance) P-C4' energy: -129.146 flat angles C4'-P-C4' energy: -157.650 flat angles P-C4'-P energy: -112.199 tors. eta vs tors. theta energy: -131.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1739.062240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.062240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.062240 (E_RNA) where: Base-Base interactions energy: -1126.785 where: short stacking energy: -523.215 Base-Backbone interact. energy: -0.112 local terms energy: -612.165078 where: bonds (distance) C4'-P energy: -152.584 bonds (distance) P-C4' energy: -116.356 flat angles C4'-P-C4' energy: -141.632 flat angles P-C4'-P energy: -82.268 tors. eta vs tors. theta energy: -119.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -1326.929615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.929615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.929615 (E_RNA) where: Base-Base interactions energy: -782.164 where: short stacking energy: -350.853 Base-Backbone interact. energy: 2.678 local terms energy: -547.443621 where: bonds (distance) C4'-P energy: -120.667 bonds (distance) P-C4' energy: -163.240 flat angles C4'-P-C4' energy: -129.491 flat angles P-C4'-P energy: -86.892 tors. eta vs tors. theta energy: -47.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -1025.718815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.718815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.718815 (E_RNA) where: Base-Base interactions energy: -543.516 where: short stacking energy: -288.549 Base-Backbone interact. energy: 0.569 local terms energy: -482.771361 where: bonds (distance) C4'-P energy: -122.535 bonds (distance) P-C4' energy: -140.710 flat angles C4'-P-C4' energy: -117.885 flat angles P-C4'-P energy: -73.476 tors. eta vs tors. theta energy: -28.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -3037.649018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.649018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.649018 (E_RNA) where: Base-Base interactions energy: -2151.604 where: short stacking energy: -866.262 Base-Backbone interact. energy: -7.677 local terms energy: -878.367997 where: bonds (distance) C4'-P energy: -157.484 bonds (distance) P-C4' energy: -155.674 flat angles C4'-P-C4' energy: -197.004 flat angles P-C4'-P energy: -120.680 tors. eta vs tors. theta energy: -247.526 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: 5 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2809.536271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.536271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.536271 (E_RNA) where: Base-Base interactions energy: -1962.420 where: short stacking energy: -814.239 Base-Backbone interact. energy: -5.165 local terms energy: -841.951962 where: bonds (distance) C4'-P energy: -151.213 bonds (distance) P-C4' energy: -162.660 flat angles C4'-P-C4' energy: -181.538 flat angles P-C4'-P energy: -125.552 tors. eta vs tors. theta energy: -220.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2739.236674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.236674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.236674 (E_RNA) where: Base-Base interactions energy: -1911.039 where: short stacking energy: -810.920 Base-Backbone interact. energy: -3.676 local terms energy: -824.521462 where: bonds (distance) C4'-P energy: -131.686 bonds (distance) P-C4' energy: -166.447 flat angles C4'-P-C4' energy: -177.185 flat angles P-C4'-P energy: -116.710 tors. eta vs tors. theta energy: -232.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2565.859862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.859862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.859862 (E_RNA) where: Base-Base interactions energy: -1789.651 where: short stacking energy: -735.866 Base-Backbone interact. energy: -6.694 local terms energy: -769.515461 where: bonds (distance) C4'-P energy: -153.280 bonds (distance) P-C4' energy: -145.965 flat angles C4'-P-C4' energy: -171.352 flat angles P-C4'-P energy: -109.659 tors. eta vs tors. theta energy: -189.260 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: 234 Temperature: 1.100000 Total energy: -2475.370972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.370972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.370972 (E_RNA) where: Base-Base interactions energy: -1698.319 where: short stacking energy: -706.431 Base-Backbone interact. energy: -4.406 local terms energy: -772.646178 where: bonds (distance) C4'-P energy: -149.774 bonds (distance) P-C4' energy: -162.747 flat angles C4'-P-C4' energy: -164.427 flat angles P-C4'-P energy: -101.478 tors. eta vs tors. theta energy: -194.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -2298.165250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.165250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.165250 (E_RNA) where: Base-Base interactions energy: -1572.542 where: short stacking energy: -662.692 Base-Backbone interact. energy: -2.846 local terms energy: -722.778040 where: bonds (distance) C4'-P energy: -134.579 bonds (distance) P-C4' energy: -153.813 flat angles C4'-P-C4' energy: -153.385 flat angles P-C4'-P energy: -101.752 tors. eta vs tors. theta energy: -179.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1938.707764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.707764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.707764 (E_RNA) where: Base-Base interactions energy: -1292.144 where: short stacking energy: -523.280 Base-Backbone interact. energy: -2.144 local terms energy: -644.419820 where: bonds (distance) C4'-P energy: -142.295 bonds (distance) P-C4' energy: -153.751 flat angles C4'-P-C4' energy: -137.871 flat angles P-C4'-P energy: -81.933 tors. eta vs tors. theta energy: -128.569 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: 8, replica: 2 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1717.792569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.792569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.792569 (E_RNA) where: Base-Base interactions energy: -1099.180 where: short stacking energy: -497.875 Base-Backbone interact. energy: -2.701 local terms energy: -615.911560 where: bonds (distance) C4'-P energy: -128.405 bonds (distance) P-C4' energy: -151.368 flat angles C4'-P-C4' energy: -143.120 flat angles P-C4'-P energy: -78.613 tors. eta vs tors. theta energy: -114.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -1380.237009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.237009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.237009 (E_RNA) where: Base-Base interactions energy: -846.488 where: short stacking energy: -398.401 Base-Backbone interact. energy: -1.788 local terms energy: -531.961440 where: bonds (distance) C4'-P energy: -129.932 bonds (distance) P-C4' energy: -124.749 flat angles C4'-P-C4' energy: -132.276 flat angles P-C4'-P energy: -86.436 tors. eta vs tors. theta energy: -58.568 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: 10, replica: 10 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -915.680104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.680104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.680104 (E_RNA) where: Base-Base interactions energy: -509.307 where: short stacking energy: -273.053 Base-Backbone interact. energy: -0.088 local terms energy: -406.285055 where: bonds (distance) C4'-P energy: -99.615 bonds (distance) P-C4' energy: -139.556 flat angles C4'-P-C4' energy: -111.526 flat angles P-C4'-P energy: -63.109 tors. eta vs tors. theta energy: 7.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -3048.062966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.062966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.062966 (E_RNA) where: Base-Base interactions energy: -2155.503 where: short stacking energy: -866.823 Base-Backbone interact. energy: -2.725 local terms energy: -889.835091 where: bonds (distance) C4'-P energy: -149.716 bonds (distance) P-C4' energy: -185.866 flat angles C4'-P-C4' energy: -187.707 flat angles P-C4'-P energy: -132.296 tors. eta vs tors. theta energy: -234.250 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: 235 Temperature: 0.950000 Total energy: -2790.775301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.775301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.775301 (E_RNA) where: Base-Base interactions energy: -1920.635 where: short stacking energy: -772.200 Base-Backbone interact. energy: -3.149 local terms energy: -866.991950 where: bonds (distance) C4'-P energy: -160.636 bonds (distance) P-C4' energy: -174.412 flat angles C4'-P-C4' energy: -189.995 flat angles P-C4'-P energy: -125.406 tors. eta vs tors. theta energy: -216.542 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: 3, replica: 1 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2732.297192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.297192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.297192 (E_RNA) where: Base-Base interactions energy: -1912.329 where: short stacking energy: -798.414 Base-Backbone interact. energy: -3.731 local terms energy: -816.236843 where: bonds (distance) C4'-P energy: -139.355 bonds (distance) P-C4' energy: -162.197 flat angles C4'-P-C4' energy: -178.340 flat angles P-C4'-P energy: -110.958 tors. eta vs tors. theta energy: -225.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2552.159924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.159924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.159924 (E_RNA) where: Base-Base interactions energy: -1772.149 where: short stacking energy: -731.947 Base-Backbone interact. energy: -4.878 local terms energy: -775.132989 where: bonds (distance) C4'-P energy: -145.453 bonds (distance) P-C4' energy: -157.315 flat angles C4'-P-C4' energy: -166.060 flat angles P-C4'-P energy: -108.338 tors. eta vs tors. theta energy: -197.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2485.406825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.406825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.406825 (E_RNA) where: Base-Base interactions energy: -1713.832 where: short stacking energy: -717.017 Base-Backbone interact. energy: 0.397 local terms energy: -771.972062 where: bonds (distance) C4'-P energy: -143.842 bonds (distance) P-C4' energy: -149.866 flat angles C4'-P-C4' energy: -164.045 flat angles P-C4'-P energy: -122.383 tors. eta vs tors. theta energy: -191.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -2317.819859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.819859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.819859 (E_RNA) where: Base-Base interactions energy: -1587.887 where: short stacking energy: -653.103 Base-Backbone interact. energy: -3.004 local terms energy: -726.929183 where: bonds (distance) C4'-P energy: -143.503 bonds (distance) P-C4' energy: -151.902 flat angles C4'-P-C4' energy: -151.617 flat angles P-C4'-P energy: -115.762 tors. eta vs tors. theta energy: -164.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1979.847674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.847674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.847674 (E_RNA) where: Base-Base interactions energy: -1317.909 where: short stacking energy: -569.835 Base-Backbone interact. energy: -4.194 local terms energy: -657.744956 where: bonds (distance) C4'-P energy: -124.240 bonds (distance) P-C4' energy: -163.809 flat angles C4'-P-C4' energy: -141.835 flat angles P-C4'-P energy: -94.983 tors. eta vs tors. theta energy: -132.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1743.877832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.877832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.877832 (E_RNA) where: Base-Base interactions energy: -1151.983 where: short stacking energy: -510.228 Base-Backbone interact. energy: 0.690 local terms energy: -592.584907 where: bonds (distance) C4'-P energy: -131.840 bonds (distance) P-C4' energy: -135.951 flat angles C4'-P-C4' energy: -156.892 flat angles P-C4'-P energy: -61.206 tors. eta vs tors. theta energy: -106.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1351.856945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.856945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.856945 (E_RNA) where: Base-Base interactions energy: -850.425 where: short stacking energy: -383.078 Base-Backbone interact. energy: 1.482 local terms energy: -502.914066 where: bonds (distance) C4'-P energy: -134.550 bonds (distance) P-C4' energy: -134.578 flat angles C4'-P-C4' energy: -116.381 flat angles P-C4'-P energy: -92.078 tors. eta vs tors. theta energy: -25.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -990.480010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.480010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.480010 (E_RNA) where: Base-Base interactions energy: -549.690 where: short stacking energy: -284.145 Base-Backbone interact. energy: -1.758 local terms energy: -439.031835 where: bonds (distance) C4'-P energy: -123.963 bonds (distance) P-C4' energy: -130.658 flat angles C4'-P-C4' energy: -91.713 flat angles P-C4'-P energy: -76.330 tors. eta vs tors. theta energy: -16.367 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: 236 Temperature: 0.900000 Total energy: -3082.007808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.007808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.007808 (E_RNA) where: Base-Base interactions energy: -2162.053 where: short stacking energy: -854.043 Base-Backbone interact. energy: -5.092 local terms energy: -914.862706 where: bonds (distance) C4'-P energy: -158.451 bonds (distance) P-C4' energy: -174.438 flat angles C4'-P-C4' energy: -202.306 flat angles P-C4'-P energy: -137.453 tors. eta vs tors. theta energy: -242.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2788.880738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.880738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.880738 (E_RNA) where: Base-Base interactions energy: -1947.595 where: short stacking energy: -825.625 Base-Backbone interact. energy: -3.257 local terms energy: -838.028436 where: bonds (distance) C4'-P energy: -142.895 bonds (distance) P-C4' energy: -157.269 flat angles C4'-P-C4' energy: -187.850 flat angles P-C4'-P energy: -125.887 tors. eta vs tors. theta energy: -224.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2760.519504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.519504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.519504 (E_RNA) where: Base-Base interactions energy: -1942.461 where: short stacking energy: -818.149 Base-Backbone interact. energy: -2.724 local terms energy: -815.333666 where: bonds (distance) C4'-P energy: -145.272 bonds (distance) P-C4' energy: -156.708 flat angles C4'-P-C4' energy: -179.913 flat angles P-C4'-P energy: -111.637 tors. eta vs tors. theta energy: -221.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2531.435537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.435537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.435537 (E_RNA) where: Base-Base interactions energy: -1738.065 where: short stacking energy: -749.411 Base-Backbone interact. energy: -4.545 local terms energy: -788.825797 where: bonds (distance) C4'-P energy: -157.020 bonds (distance) P-C4' energy: -162.769 flat angles C4'-P-C4' energy: -171.548 flat angles P-C4'-P energy: -107.744 tors. eta vs tors. theta energy: -189.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2410.560743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.560743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.560743 (E_RNA) where: Base-Base interactions energy: -1682.897 where: short stacking energy: -678.140 Base-Backbone interact. energy: -6.174 local terms energy: -721.490454 where: bonds (distance) C4'-P energy: -108.524 bonds (distance) P-C4' energy: -161.437 flat angles C4'-P-C4' energy: -165.030 flat angles P-C4'-P energy: -108.606 tors. eta vs tors. theta energy: -177.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -2302.357610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.357610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.357610 (E_RNA) where: Base-Base interactions energy: -1555.826 where: short stacking energy: -653.622 Base-Backbone interact. energy: -1.408 local terms energy: -745.123201 where: bonds (distance) C4'-P energy: -143.726 bonds (distance) P-C4' energy: -158.713 flat angles C4'-P-C4' energy: -163.308 flat angles P-C4'-P energy: -100.639 tors. eta vs tors. theta energy: -178.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1994.672879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.672879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.672879 (E_RNA) where: Base-Base interactions energy: -1297.998 where: short stacking energy: -564.873 Base-Backbone interact. energy: 4.842 local terms energy: -701.517645 where: bonds (distance) C4'-P energy: -142.437 bonds (distance) P-C4' energy: -161.410 flat angles C4'-P-C4' energy: -151.588 flat angles P-C4'-P energy: -104.532 tors. eta vs tors. theta energy: -141.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1773.288478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.288478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.288478 (E_RNA) where: Base-Base interactions energy: -1163.241 where: short stacking energy: -523.686 Base-Backbone interact. energy: 2.884 local terms energy: -612.931249 where: bonds (distance) C4'-P energy: -124.381 bonds (distance) P-C4' energy: -144.925 flat angles C4'-P-C4' energy: -142.170 flat angles P-C4'-P energy: -96.625 tors. eta vs tors. theta energy: -104.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -1340.904224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.904224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.904224 (E_RNA) where: Base-Base interactions energy: -802.938 where: short stacking energy: -369.639 Base-Backbone interact. energy: 3.798 local terms energy: -541.764330 where: bonds (distance) C4'-P energy: -137.634 bonds (distance) P-C4' energy: -140.189 flat angles C4'-P-C4' energy: -138.741 flat angles P-C4'-P energy: -82.808 tors. eta vs tors. theta energy: -42.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -985.600554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.600554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.600554 (E_RNA) where: Base-Base interactions energy: -543.848 where: short stacking energy: -304.174 Base-Backbone interact. energy: 4.208 local terms energy: -445.961106 where: bonds (distance) C4'-P energy: -128.189 bonds (distance) P-C4' energy: -130.586 flat angles C4'-P-C4' energy: -102.492 flat angles P-C4'-P energy: -86.287 tors. eta vs tors. theta energy: 1.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -3070.694803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.694803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.694803 (E_RNA) where: Base-Base interactions energy: -2159.753 where: short stacking energy: -887.664 Base-Backbone interact. energy: -1.984 local terms energy: -908.957939 where: bonds (distance) C4'-P energy: -162.818 bonds (distance) P-C4' energy: -190.271 flat angles C4'-P-C4' energy: -189.975 flat angles P-C4'-P energy: -125.075 tors. eta vs tors. theta energy: -240.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2790.630850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.630850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.630850 (E_RNA) where: Base-Base interactions energy: -1964.812 where: short stacking energy: -830.345 Base-Backbone interact. energy: 1.982 local terms energy: -827.801078 where: bonds (distance) C4'-P energy: -167.306 bonds (distance) P-C4' energy: -155.120 flat angles C4'-P-C4' energy: -174.525 flat angles P-C4'-P energy: -122.901 tors. eta vs tors. theta energy: -207.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2762.093300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.093300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.093300 (E_RNA) where: Base-Base interactions energy: -1914.574 where: short stacking energy: -805.903 Base-Backbone interact. energy: -4.837 local terms energy: -842.682234 where: bonds (distance) C4'-P energy: -155.353 bonds (distance) P-C4' energy: -155.250 flat angles C4'-P-C4' energy: -171.586 flat angles P-C4'-P energy: -128.822 tors. eta vs tors. theta energy: -231.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2548.185608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.185608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.185608 (E_RNA) where: Base-Base interactions energy: -1749.836 where: short stacking energy: -744.626 Base-Backbone interact. energy: -1.297 local terms energy: -797.052892 where: bonds (distance) C4'-P energy: -138.914 bonds (distance) P-C4' energy: -169.288 flat angles C4'-P-C4' energy: -172.609 flat angles P-C4'-P energy: -108.412 tors. eta vs tors. theta energy: -207.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2455.300403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.300403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.300403 (E_RNA) where: Base-Base interactions energy: -1705.806 where: short stacking energy: -675.176 Base-Backbone interact. energy: -6.939 local terms energy: -742.555188 where: bonds (distance) C4'-P energy: -134.786 bonds (distance) P-C4' energy: -181.296 flat angles C4'-P-C4' energy: -152.869 flat angles P-C4'-P energy: -97.399 tors. eta vs tors. theta energy: -176.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -2328.379507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.379507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.379507 (E_RNA) where: Base-Base interactions energy: -1619.746 where: short stacking energy: -695.734 Base-Backbone interact. energy: 0.281 local terms energy: -708.914505 where: bonds (distance) C4'-P energy: -143.555 bonds (distance) P-C4' energy: -153.622 flat angles C4'-P-C4' energy: -139.980 flat angles P-C4'-P energy: -85.796 tors. eta vs tors. theta energy: -185.961 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: 237 Temperature: 1.200000 Total energy: -1990.840900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.840900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.840900 (E_RNA) where: Base-Base interactions energy: -1319.268 where: short stacking energy: -578.620 Base-Backbone interact. energy: 5.970 local terms energy: -677.542556 where: bonds (distance) C4'-P energy: -146.887 bonds (distance) P-C4' energy: -151.842 flat angles C4'-P-C4' energy: -148.822 flat angles P-C4'-P energy: -89.863 tors. eta vs tors. theta energy: -140.129 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: 2 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1735.841572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.841572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.841572 (E_RNA) where: Base-Base interactions energy: -1121.415 where: short stacking energy: -505.756 Base-Backbone interact. energy: 0.480 local terms energy: -614.906926 where: bonds (distance) C4'-P energy: -117.832 bonds (distance) P-C4' energy: -128.568 flat angles C4'-P-C4' energy: -155.374 flat angles P-C4'-P energy: -98.794 tors. eta vs tors. theta energy: -114.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -1323.533578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.533578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.533578 (E_RNA) where: Base-Base interactions energy: -803.892 where: short stacking energy: -397.232 Base-Backbone interact. energy: 0.354 local terms energy: -519.995283 where: bonds (distance) C4'-P energy: -134.058 bonds (distance) P-C4' energy: -139.223 flat angles C4'-P-C4' energy: -114.549 flat angles P-C4'-P energy: -76.513 tors. eta vs tors. theta energy: -55.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -1002.189513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.189513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.189513 (E_RNA) where: Base-Base interactions energy: -525.283 where: short stacking energy: -257.679 Base-Backbone interact. energy: -1.863 local terms energy: -475.044062 where: bonds (distance) C4'-P energy: -121.800 bonds (distance) P-C4' energy: -134.066 flat angles C4'-P-C4' energy: -149.556 flat angles P-C4'-P energy: -69.354 tors. eta vs tors. theta energy: -0.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -3061.132567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.132567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.132567 (E_RNA) where: Base-Base interactions energy: -2163.378 where: short stacking energy: -852.743 Base-Backbone interact. energy: -4.910 local terms energy: -892.844415 where: bonds (distance) C4'-P energy: -166.785 bonds (distance) P-C4' energy: -177.095 flat angles C4'-P-C4' energy: -195.045 flat angles P-C4'-P energy: -117.907 tors. eta vs tors. theta energy: -236.013 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: 5 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2815.877003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.877003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.877003 (E_RNA) where: Base-Base interactions energy: -1940.788 where: short stacking energy: -799.148 Base-Backbone interact. energy: -4.729 local terms energy: -870.359670 where: bonds (distance) C4'-P energy: -148.114 bonds (distance) P-C4' energy: -171.614 flat angles C4'-P-C4' energy: -186.781 flat angles P-C4'-P energy: -136.678 tors. eta vs tors. theta energy: -227.172 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: 1 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2736.755889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.755889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.755889 (E_RNA) where: Base-Base interactions energy: -1872.117 where: short stacking energy: -765.194 Base-Backbone interact. energy: -6.662 local terms energy: -857.976917 where: bonds (distance) C4'-P energy: -171.280 bonds (distance) P-C4' energy: -170.402 flat angles C4'-P-C4' energy: -167.211 flat angles P-C4'-P energy: -118.498 tors. eta vs tors. theta energy: -230.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2539.180985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.180985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.180985 (E_RNA) where: Base-Base interactions energy: -1769.310 where: short stacking energy: -723.771 Base-Backbone interact. energy: -3.554 local terms energy: -766.317334 where: bonds (distance) C4'-P energy: -140.367 bonds (distance) P-C4' energy: -145.196 flat angles C4'-P-C4' energy: -176.666 flat angles P-C4'-P energy: -105.051 tors. eta vs tors. theta energy: -199.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2472.354191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.354191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.354191 (E_RNA) where: Base-Base interactions energy: -1720.889 where: short stacking energy: -710.475 Base-Backbone interact. energy: 4.711 local terms energy: -756.176042 where: bonds (distance) C4'-P energy: -150.224 bonds (distance) P-C4' energy: -129.290 flat angles C4'-P-C4' energy: -168.780 flat angles P-C4'-P energy: -118.414 tors. eta vs tors. theta energy: -189.468 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: 8 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -2276.787541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.787541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.787541 (E_RNA) where: Base-Base interactions energy: -1540.415 where: short stacking energy: -658.150 Base-Backbone interact. energy: -2.539 local terms energy: -733.833231 where: bonds (distance) C4'-P energy: -120.147 bonds (distance) P-C4' energy: -151.791 flat angles C4'-P-C4' energy: -164.716 flat angles P-C4'-P energy: -118.494 tors. eta vs tors. theta energy: -178.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1979.851305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.851305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.851305 (E_RNA) where: Base-Base interactions energy: -1348.948 where: short stacking energy: -563.334 Base-Backbone interact. energy: -1.037 local terms energy: -629.865723 where: bonds (distance) C4'-P energy: -148.269 bonds (distance) P-C4' energy: -134.545 flat angles C4'-P-C4' energy: -138.958 flat angles P-C4'-P energy: -78.487 tors. eta vs tors. theta energy: -129.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1729.065352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.065352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.065352 (E_RNA) where: Base-Base interactions energy: -1143.700 where: short stacking energy: -507.120 Base-Backbone interact. energy: 0.972 local terms energy: -586.337341 where: bonds (distance) C4'-P energy: -102.847 bonds (distance) P-C4' energy: -148.139 flat angles C4'-P-C4' energy: -129.247 flat angles P-C4'-P energy: -94.157 tors. eta vs tors. theta energy: -111.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1310.368967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.368967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.368967 (E_RNA) where: Base-Base interactions energy: -787.217 where: short stacking energy: -369.272 Base-Backbone interact. energy: -1.303 local terms energy: -521.848805 where: bonds (distance) C4'-P energy: -127.429 bonds (distance) P-C4' energy: -157.983 flat angles C4'-P-C4' energy: -116.133 flat angles P-C4'-P energy: -63.832 tors. eta vs tors. theta energy: -56.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -1021.960929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.960929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.960929 (E_RNA) where: Base-Base interactions energy: -529.092 where: short stacking energy: -270.519 Base-Backbone interact. energy: 0.878 local terms energy: -493.746909 where: bonds (distance) C4'-P energy: -134.042 bonds (distance) P-C4' energy: -143.472 flat angles C4'-P-C4' energy: -125.006 flat angles P-C4'-P energy: -88.545 tors. eta vs tors. theta energy: -2.681 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: 3 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -3048.968916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.968916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.968916 (E_RNA) where: Base-Base interactions energy: -2176.749 where: short stacking energy: -858.146 Base-Backbone interact. energy: -5.976 local terms energy: -866.244115 where: bonds (distance) C4'-P energy: -151.183 bonds (distance) P-C4' energy: -170.556 flat angles C4'-P-C4' energy: -191.536 flat angles P-C4'-P energy: -118.799 tors. eta vs tors. theta energy: -234.170 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: 239 Temperature: 0.950000 Total energy: -2837.908493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.908493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.908493 (E_RNA) where: Base-Base interactions energy: -2017.128 where: short stacking energy: -842.037 Base-Backbone interact. energy: -2.766 local terms energy: -818.014415 where: bonds (distance) C4'-P energy: -138.250 bonds (distance) P-C4' energy: -162.717 flat angles C4'-P-C4' energy: -173.432 flat angles P-C4'-P energy: -120.792 tors. eta vs tors. theta energy: -222.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2735.097076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.097076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.097076 (E_RNA) where: Base-Base interactions energy: -1879.439 where: short stacking energy: -795.579 Base-Backbone interact. energy: -5.761 local terms energy: -849.897450 where: bonds (distance) C4'-P energy: -155.336 bonds (distance) P-C4' energy: -164.039 flat angles C4'-P-C4' energy: -177.077 flat angles P-C4'-P energy: -126.342 tors. eta vs tors. theta energy: -227.104 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: 7 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2556.136678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.136678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.136678 (E_RNA) where: Base-Base interactions energy: -1737.281 where: short stacking energy: -733.720 Base-Backbone interact. energy: -3.987 local terms energy: -814.868516 where: bonds (distance) C4'-P energy: -150.599 bonds (distance) P-C4' energy: -176.004 flat angles C4'-P-C4' energy: -170.998 flat angles P-C4'-P energy: -106.417 tors. eta vs tors. theta energy: -210.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2484.752279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.752279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.752279 (E_RNA) where: Base-Base interactions energy: -1708.209 where: short stacking energy: -689.692 Base-Backbone interact. energy: 2.804 local terms energy: -779.346519 where: bonds (distance) C4'-P energy: -120.501 bonds (distance) P-C4' energy: -167.590 flat angles C4'-P-C4' energy: -180.050 flat angles P-C4'-P energy: -131.887 tors. eta vs tors. theta energy: -179.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -2318.189802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.189802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.189802 (E_RNA) where: Base-Base interactions energy: -1581.151 where: short stacking energy: -649.045 Base-Backbone interact. energy: 1.767 local terms energy: -738.806197 where: bonds (distance) C4'-P energy: -149.418 bonds (distance) P-C4' energy: -147.668 flat angles C4'-P-C4' energy: -161.346 flat angles P-C4'-P energy: -104.105 tors. eta vs tors. theta energy: -176.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1993.581890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.581890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.581890 (E_RNA) where: Base-Base interactions energy: -1322.624 where: short stacking energy: -590.530 Base-Backbone interact. energy: 1.060 local terms energy: -672.017936 where: bonds (distance) C4'-P energy: -139.990 bonds (distance) P-C4' energy: -135.962 flat angles C4'-P-C4' energy: -171.170 flat angles P-C4'-P energy: -81.004 tors. eta vs tors. theta energy: -143.892 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: 239 Temperature: 1.250000 Total energy: -1765.154135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.154135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.154135 (E_RNA) where: Base-Base interactions energy: -1206.944 where: short stacking energy: -525.475 Base-Backbone interact. energy: -2.363 local terms energy: -555.847158 where: bonds (distance) C4'-P energy: -110.661 bonds (distance) P-C4' energy: -132.126 flat angles C4'-P-C4' energy: -126.573 flat angles P-C4'-P energy: -87.852 tors. eta vs tors. theta energy: -98.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -1330.191476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.191476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.191476 (E_RNA) where: Base-Base interactions energy: -796.719 where: short stacking energy: -385.764 Base-Backbone interact. energy: -0.698 local terms energy: -532.774770 where: bonds (distance) C4'-P energy: -137.590 bonds (distance) P-C4' energy: -147.047 flat angles C4'-P-C4' energy: -114.277 flat angles P-C4'-P energy: -86.989 tors. eta vs tors. theta energy: -46.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -931.251556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.251556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.251556 (E_RNA) where: Base-Base interactions energy: -478.557 where: short stacking energy: -237.806 Base-Backbone interact. energy: -1.103 local terms energy: -451.591808 where: bonds (distance) C4'-P energy: -128.929 bonds (distance) P-C4' energy: -162.423 flat angles C4'-P-C4' energy: -105.284 flat angles P-C4'-P energy: -72.414 tors. eta vs tors. theta energy: 17.459 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: 240 Temperature: 0.900000 Total energy: -3061.143080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.143080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.143080 (E_RNA) where: Base-Base interactions energy: -2183.490 where: short stacking energy: -851.157 Base-Backbone interact. energy: -5.420 local terms energy: -872.233666 where: bonds (distance) C4'-P energy: -167.580 bonds (distance) P-C4' energy: -149.398 flat angles C4'-P-C4' energy: -181.881 flat angles P-C4'-P energy: -127.589 tors. eta vs tors. theta energy: -245.785 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: 5 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2800.702049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.702049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.702049 (E_RNA) where: Base-Base interactions energy: -1949.199 where: short stacking energy: -809.707 Base-Backbone interact. energy: 0.025 local terms energy: -851.528184 where: bonds (distance) C4'-P energy: -159.070 bonds (distance) P-C4' energy: -170.623 flat angles C4'-P-C4' energy: -182.259 flat angles P-C4'-P energy: -118.717 tors. eta vs tors. theta energy: -220.859 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: 3, replica: 1 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2724.851187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.851187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.851187 (E_RNA) where: Base-Base interactions energy: -1879.446 where: short stacking energy: -768.235 Base-Backbone interact. energy: -3.689 local terms energy: -841.715919 where: bonds (distance) C4'-P energy: -150.132 bonds (distance) P-C4' energy: -158.931 flat angles C4'-P-C4' energy: -180.452 flat angles P-C4'-P energy: -123.901 tors. eta vs tors. theta energy: -228.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2598.942957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.942957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.942957 (E_RNA) where: Base-Base interactions energy: -1797.631 where: short stacking energy: -751.080 Base-Backbone interact. energy: -2.497 local terms energy: -798.815131 where: bonds (distance) C4'-P energy: -148.323 bonds (distance) P-C4' energy: -159.729 flat angles C4'-P-C4' energy: -159.464 flat angles P-C4'-P energy: -119.092 tors. eta vs tors. theta energy: -212.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2438.130796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.130796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.130796 (E_RNA) where: Base-Base interactions energy: -1712.375 where: short stacking energy: -724.871 Base-Backbone interact. energy: 1.989 local terms energy: -727.745053 where: bonds (distance) C4'-P energy: -114.834 bonds (distance) P-C4' energy: -159.190 flat angles C4'-P-C4' energy: -160.194 flat angles P-C4'-P energy: -114.775 tors. eta vs tors. theta energy: -178.752 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: 8 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -2219.127001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.127001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.127001 (E_RNA) where: Base-Base interactions energy: -1527.582 where: short stacking energy: -650.075 Base-Backbone interact. energy: -8.678 local terms energy: -682.866354 where: bonds (distance) C4'-P energy: -142.731 bonds (distance) P-C4' energy: -148.412 flat angles C4'-P-C4' energy: -142.315 flat angles P-C4'-P energy: -82.337 tors. eta vs tors. theta energy: -167.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -2001.005764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.005764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.005764 (E_RNA) where: Base-Base interactions energy: -1325.425 where: short stacking energy: -564.311 Base-Backbone interact. energy: -1.011 local terms energy: -674.570133 where: bonds (distance) C4'-P energy: -139.834 bonds (distance) P-C4' energy: -147.763 flat angles C4'-P-C4' energy: -152.051 flat angles P-C4'-P energy: -104.202 tors. eta vs tors. theta energy: -130.719 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: 2 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1814.441682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.441682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.441682 (E_RNA) where: Base-Base interactions energy: -1191.483 where: short stacking energy: -525.139 Base-Backbone interact. energy: -3.000 local terms energy: -619.958989 where: bonds (distance) C4'-P energy: -121.391 bonds (distance) P-C4' energy: -159.307 flat angles C4'-P-C4' energy: -145.251 flat angles P-C4'-P energy: -90.654 tors. eta vs tors. theta energy: -103.356 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: 240 Temperature: 1.300000 Total energy: -1345.429899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.429899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.429899 (E_RNA) where: Base-Base interactions energy: -843.472 where: short stacking energy: -395.120 Base-Backbone interact. energy: -0.608 local terms energy: -501.349559 where: bonds (distance) C4'-P energy: -114.352 bonds (distance) P-C4' energy: -111.046 flat angles C4'-P-C4' energy: -113.260 flat angles P-C4'-P energy: -95.661 tors. eta vs tors. theta energy: -67.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -1010.152497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.152497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.152497 (E_RNA) where: Base-Base interactions energy: -544.684 where: short stacking energy: -280.103 Base-Backbone interact. energy: -0.668 local terms energy: -464.800957 where: bonds (distance) C4'-P energy: -101.385 bonds (distance) P-C4' energy: -142.105 flat angles C4'-P-C4' energy: -128.874 flat angles P-C4'-P energy: -79.438 tors. eta vs tors. theta energy: -13.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -3073.484825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.484825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.484825 (E_RNA) where: Base-Base interactions energy: -2176.948 where: short stacking energy: -851.808 Base-Backbone interact. energy: -2.523 local terms energy: -894.014047 where: bonds (distance) C4'-P energy: -171.399 bonds (distance) P-C4' energy: -165.132 flat angles C4'-P-C4' energy: -190.412 flat angles P-C4'-P energy: -142.509 tors. eta vs tors. theta energy: -224.563 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: -2788.770266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.770266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.770266 (E_RNA) where: Base-Base interactions energy: -1925.314 where: short stacking energy: -815.486 Base-Backbone interact. energy: -3.742 local terms energy: -859.714828 where: bonds (distance) C4'-P energy: -150.168 bonds (distance) P-C4' energy: -174.011 flat angles C4'-P-C4' energy: -188.264 flat angles P-C4'-P energy: -127.600 tors. eta vs tors. theta energy: -219.672 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: 1 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2747.180658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.180658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.180658 (E_RNA) where: Base-Base interactions energy: -1907.373 where: short stacking energy: -791.480 Base-Backbone interact. energy: -3.523 local terms energy: -836.284810 where: bonds (distance) C4'-P energy: -150.143 bonds (distance) P-C4' energy: -168.641 flat angles C4'-P-C4' energy: -170.935 flat angles P-C4'-P energy: -120.079 tors. eta vs tors. theta energy: -226.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2553.708943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.708943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.708943 (E_RNA) where: Base-Base interactions energy: -1745.175 where: short stacking energy: -722.084 Base-Backbone interact. energy: -5.647 local terms energy: -802.886693 where: bonds (distance) C4'-P energy: -144.438 bonds (distance) P-C4' energy: -159.399 flat angles C4'-P-C4' energy: -181.712 flat angles P-C4'-P energy: -117.352 tors. eta vs tors. theta energy: -199.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2422.952441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.952441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.952441 (E_RNA) where: Base-Base interactions energy: -1683.134 where: short stacking energy: -695.169 Base-Backbone interact. energy: -3.022 local terms energy: -736.796549 where: bonds (distance) C4'-P energy: -148.815 bonds (distance) P-C4' energy: -153.580 flat angles C4'-P-C4' energy: -151.211 flat angles P-C4'-P energy: -116.541 tors. eta vs tors. theta energy: -166.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -2205.542360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.542360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.542360 (E_RNA) where: Base-Base interactions energy: -1508.252 where: short stacking energy: -647.318 Base-Backbone interact. energy: -2.527 local terms energy: -694.763577 where: bonds (distance) C4'-P energy: -128.236 bonds (distance) P-C4' energy: -140.058 flat angles C4'-P-C4' energy: -165.166 flat angles P-C4'-P energy: -89.730 tors. eta vs tors. theta energy: -171.573 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: 6 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -2031.952840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.952840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.952840 (E_RNA) where: Base-Base interactions energy: -1346.654 where: short stacking energy: -574.503 Base-Backbone interact. energy: -2.527 local terms energy: -682.772135 where: bonds (distance) C4'-P energy: -137.418 bonds (distance) P-C4' energy: -140.078 flat angles C4'-P-C4' energy: -156.704 flat angles P-C4'-P energy: -103.869 tors. eta vs tors. theta energy: -144.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1825.200270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.200270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.200270 (E_RNA) where: Base-Base interactions energy: -1211.658 where: short stacking energy: -538.079 Base-Backbone interact. energy: -1.861 local terms energy: -611.680730 where: bonds (distance) C4'-P energy: -123.849 bonds (distance) P-C4' energy: -126.785 flat angles C4'-P-C4' energy: -156.209 flat angles P-C4'-P energy: -82.950 tors. eta vs tors. theta energy: -121.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1340.111909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.111909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.111909 (E_RNA) where: Base-Base interactions energy: -775.221 where: short stacking energy: -378.959 Base-Backbone interact. energy: 2.499 local terms energy: -567.390250 where: bonds (distance) C4'-P energy: -118.229 bonds (distance) P-C4' energy: -148.146 flat angles C4'-P-C4' energy: -148.034 flat angles P-C4'-P energy: -78.596 tors. eta vs tors. theta energy: -74.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -1005.306357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.306357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.306357 (E_RNA) where: Base-Base interactions energy: -527.642 where: short stacking energy: -287.289 Base-Backbone interact. energy: 3.997 local terms energy: -481.660749 where: bonds (distance) C4'-P energy: -121.411 bonds (distance) P-C4' energy: -144.912 flat angles C4'-P-C4' energy: -136.180 flat angles P-C4'-P energy: -72.766 tors. eta vs tors. theta energy: -6.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -3050.101842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.101842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.101842 (E_RNA) where: Base-Base interactions energy: -2151.501 where: short stacking energy: -851.319 Base-Backbone interact. energy: -7.035 local terms energy: -891.566204 where: bonds (distance) C4'-P energy: -163.925 bonds (distance) P-C4' energy: -161.106 flat angles C4'-P-C4' energy: -196.959 flat angles P-C4'-P energy: -143.125 tors. eta vs tors. theta energy: -226.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2798.791035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.791035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.791035 (E_RNA) where: Base-Base interactions energy: -1973.534 where: short stacking energy: -819.026 Base-Backbone interact. energy: -4.162 local terms energy: -821.095370 where: bonds (distance) C4'-P energy: -148.116 bonds (distance) P-C4' energy: -165.292 flat angles C4'-P-C4' energy: -175.310 flat angles P-C4'-P energy: -120.840 tors. eta vs tors. theta energy: -211.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2734.273199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.273199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.273199 (E_RNA) where: Base-Base interactions energy: -1898.846 where: short stacking energy: -789.026 Base-Backbone interact. energy: 0.069 local terms energy: -835.496332 where: bonds (distance) C4'-P energy: -161.127 bonds (distance) P-C4' energy: -146.587 flat angles C4'-P-C4' energy: -177.126 flat angles P-C4'-P energy: -129.222 tors. eta vs tors. theta energy: -221.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2567.735668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.735668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.735668 (E_RNA) where: Base-Base interactions energy: -1776.445 where: short stacking energy: -758.700 Base-Backbone interact. energy: -2.310 local terms energy: -788.980649 where: bonds (distance) C4'-P energy: -148.014 bonds (distance) P-C4' energy: -138.014 flat angles C4'-P-C4' energy: -182.549 flat angles P-C4'-P energy: -106.028 tors. eta vs tors. theta energy: -214.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2462.530519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.530519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.530519 (E_RNA) where: Base-Base interactions energy: -1718.662 where: short stacking energy: -710.851 Base-Backbone interact. energy: -0.529 local terms energy: -743.339296 where: bonds (distance) C4'-P energy: -125.942 bonds (distance) P-C4' energy: -156.934 flat angles C4'-P-C4' energy: -162.880 flat angles P-C4'-P energy: -113.970 tors. eta vs tors. theta energy: -183.614 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: 8 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -2219.354009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.354009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.354009 (E_RNA) where: Base-Base interactions energy: -1539.995 where: short stacking energy: -647.131 Base-Backbone interact. energy: -1.558 local terms energy: -677.801803 where: bonds (distance) C4'-P energy: -128.030 bonds (distance) P-C4' energy: -147.114 flat angles C4'-P-C4' energy: -145.681 flat angles P-C4'-P energy: -88.893 tors. eta vs tors. theta energy: -168.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -2046.383341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.383341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.383341 (E_RNA) where: Base-Base interactions energy: -1385.796 where: short stacking energy: -592.041 Base-Backbone interact. energy: -3.916 local terms energy: -656.670999 where: bonds (distance) C4'-P energy: -131.618 bonds (distance) P-C4' energy: -145.101 flat angles C4'-P-C4' energy: -150.638 flat angles P-C4'-P energy: -77.192 tors. eta vs tors. theta energy: -152.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1841.592587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.592587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.592587 (E_RNA) where: Base-Base interactions energy: -1233.003 where: short stacking energy: -535.465 Base-Backbone interact. energy: 5.922 local terms energy: -614.511517 where: bonds (distance) C4'-P energy: -125.418 bonds (distance) P-C4' energy: -136.724 flat angles C4'-P-C4' energy: -142.042 flat angles P-C4'-P energy: -105.016 tors. eta vs tors. theta energy: -105.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1363.125098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.125098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.125098 (E_RNA) where: Base-Base interactions energy: -839.669 where: short stacking energy: -403.706 Base-Backbone interact. energy: 5.730 local terms energy: -529.185987 where: bonds (distance) C4'-P energy: -113.892 bonds (distance) P-C4' energy: -150.616 flat angles C4'-P-C4' energy: -142.206 flat angles P-C4'-P energy: -85.427 tors. eta vs tors. theta energy: -37.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -1020.212616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.212616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.212616 (E_RNA) where: Base-Base interactions energy: -565.969 where: short stacking energy: -302.463 Base-Backbone interact. energy: -2.073 local terms energy: -452.171371 where: bonds (distance) C4'-P energy: -140.492 bonds (distance) P-C4' energy: -134.708 flat angles C4'-P-C4' energy: -111.119 flat angles P-C4'-P energy: -58.520 tors. eta vs tors. theta energy: -7.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -3057.403467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.403467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.403467 (E_RNA) where: Base-Base interactions energy: -2163.698 where: short stacking energy: -864.759 Base-Backbone interact. energy: -7.845 local terms energy: -885.860451 where: bonds (distance) C4'-P energy: -161.562 bonds (distance) P-C4' energy: -162.102 flat angles C4'-P-C4' energy: -196.309 flat angles P-C4'-P energy: -134.519 tors. eta vs tors. theta energy: -231.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2781.510717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.510717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.510717 (E_RNA) where: Base-Base interactions energy: -1957.730 where: short stacking energy: -822.326 Base-Backbone interact. energy: -1.283 local terms energy: -822.498405 where: bonds (distance) C4'-P energy: -143.005 bonds (distance) P-C4' energy: -168.727 flat angles C4'-P-C4' energy: -178.701 flat angles P-C4'-P energy: -119.614 tors. eta vs tors. theta energy: -212.451 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: 1 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2735.377486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.377486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.377486 (E_RNA) where: Base-Base interactions energy: -1882.465 where: short stacking energy: -773.399 Base-Backbone interact. energy: -1.080 local terms energy: -851.832157 where: bonds (distance) C4'-P energy: -146.515 bonds (distance) P-C4' energy: -173.099 flat angles C4'-P-C4' energy: -178.223 flat angles P-C4'-P energy: -124.713 tors. eta vs tors. theta energy: -229.282 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: 4, replica: 7 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2528.612413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.612413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.612413 (E_RNA) where: Base-Base interactions energy: -1756.466 where: short stacking energy: -729.857 Base-Backbone interact. energy: -5.292 local terms energy: -766.854104 where: bonds (distance) C4'-P energy: -142.195 bonds (distance) P-C4' energy: -155.083 flat angles C4'-P-C4' energy: -164.642 flat angles P-C4'-P energy: -109.845 tors. eta vs tors. theta energy: -195.090 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: 4 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2455.845419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.845419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.845419 (E_RNA) where: Base-Base interactions energy: -1732.097 where: short stacking energy: -686.199 Base-Backbone interact. energy: 0.168 local terms energy: -723.915842 where: bonds (distance) C4'-P energy: -142.644 bonds (distance) P-C4' energy: -148.647 flat angles C4'-P-C4' energy: -156.071 flat angles P-C4'-P energy: -110.037 tors. eta vs tors. theta energy: -166.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -2171.901357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.901357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.901357 (E_RNA) where: Base-Base interactions energy: -1502.670 where: short stacking energy: -638.150 Base-Backbone interact. energy: 9.154 local terms energy: -678.714125 where: bonds (distance) C4'-P energy: -127.275 bonds (distance) P-C4' energy: -134.651 flat angles C4'-P-C4' energy: -160.463 flat angles P-C4'-P energy: -97.022 tors. eta vs tors. theta energy: -159.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.329 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -2048.806076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.806076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.806076 (E_RNA) where: Base-Base interactions energy: -1392.536 where: short stacking energy: -596.802 Base-Backbone interact. energy: -1.058 local terms energy: -655.211834 where: bonds (distance) C4'-P energy: -131.978 bonds (distance) P-C4' energy: -136.861 flat angles C4'-P-C4' energy: -152.421 flat angles P-C4'-P energy: -85.949 tors. eta vs tors. theta energy: -148.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1834.860574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.860574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.860574 (E_RNA) where: Base-Base interactions energy: -1236.838 where: short stacking energy: -539.820 Base-Backbone interact. energy: -1.313 local terms energy: -596.709325 where: bonds (distance) C4'-P energy: -129.758 bonds (distance) P-C4' energy: -136.571 flat angles C4'-P-C4' energy: -135.532 flat angles P-C4'-P energy: -87.655 tors. eta vs tors. theta energy: -107.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1352.987571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.987571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.987571 (E_RNA) where: Base-Base interactions energy: -840.051 where: short stacking energy: -390.497 Base-Backbone interact. energy: -6.408 local terms energy: -506.528201 where: bonds (distance) C4'-P energy: -112.979 bonds (distance) P-C4' energy: -136.180 flat angles C4'-P-C4' energy: -135.146 flat angles P-C4'-P energy: -77.287 tors. eta vs tors. theta energy: -44.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -958.190179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.190179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.190179 (E_RNA) where: Base-Base interactions energy: -496.789 where: short stacking energy: -243.052 Base-Backbone interact. energy: 2.319 local terms energy: -463.720346 where: bonds (distance) C4'-P energy: -135.781 bonds (distance) P-C4' energy: -144.829 flat angles C4'-P-C4' energy: -99.906 flat angles P-C4'-P energy: -89.071 tors. eta vs tors. theta energy: 5.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -3057.681169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.681169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.681169 (E_RNA) where: Base-Base interactions energy: -2158.034 where: short stacking energy: -853.314 Base-Backbone interact. energy: -4.273 local terms energy: -895.374722 where: bonds (distance) C4'-P energy: -155.916 bonds (distance) P-C4' energy: -170.932 flat angles C4'-P-C4' energy: -189.541 flat angles P-C4'-P energy: -138.812 tors. eta vs tors. theta energy: -240.174 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: 2, replica: 5 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2776.814000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.814000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.814000 (E_RNA) where: Base-Base interactions energy: -1925.087 where: short stacking energy: -791.126 Base-Backbone interact. energy: -4.667 local terms energy: -847.059779 where: bonds (distance) C4'-P energy: -156.955 bonds (distance) P-C4' energy: -171.724 flat angles C4'-P-C4' energy: -182.826 flat angles P-C4'-P energy: -122.014 tors. eta vs tors. theta energy: -213.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2720.030156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.030156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.030156 (E_RNA) where: Base-Base interactions energy: -1888.197 where: short stacking energy: -779.839 Base-Backbone interact. energy: -2.846 local terms energy: -828.986449 where: bonds (distance) C4'-P energy: -146.347 bonds (distance) P-C4' energy: -169.793 flat angles C4'-P-C4' energy: -169.906 flat angles P-C4'-P energy: -123.285 tors. eta vs tors. theta energy: -219.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2524.759111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.759111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.759111 (E_RNA) where: Base-Base interactions energy: -1752.115 where: short stacking energy: -745.684 Base-Backbone interact. energy: 1.479 local terms energy: -774.122409 where: bonds (distance) C4'-P energy: -154.203 bonds (distance) P-C4' energy: -152.478 flat angles C4'-P-C4' energy: -161.943 flat angles P-C4'-P energy: -105.650 tors. eta vs tors. theta energy: -199.849 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: 4 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2470.760532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.760532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.760532 (E_RNA) where: Base-Base interactions energy: -1704.804 where: short stacking energy: -718.545 Base-Backbone interact. energy: -5.439 local terms energy: -760.517537 where: bonds (distance) C4'-P energy: -137.440 bonds (distance) P-C4' energy: -148.575 flat angles C4'-P-C4' energy: -175.305 flat angles P-C4'-P energy: -102.200 tors. eta vs tors. theta energy: -196.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -2193.586541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.586541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.586541 (E_RNA) where: Base-Base interactions energy: -1544.038 where: short stacking energy: -679.395 Base-Backbone interact. energy: 5.018 local terms energy: -655.764327 where: bonds (distance) C4'-P energy: -130.843 bonds (distance) P-C4' energy: -142.524 flat angles C4'-P-C4' energy: -140.642 flat angles P-C4'-P energy: -84.248 tors. eta vs tors. theta energy: -157.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.198 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1976.612600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.612600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.612600 (E_RNA) where: Base-Base interactions energy: -1285.964 where: short stacking energy: -572.307 Base-Backbone interact. energy: 4.444 local terms energy: -695.092294 where: bonds (distance) C4'-P energy: -141.024 bonds (distance) P-C4' energy: -158.855 flat angles C4'-P-C4' energy: -150.517 flat angles P-C4'-P energy: -105.435 tors. eta vs tors. theta energy: -139.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1834.850845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.850845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.850845 (E_RNA) where: Base-Base interactions energy: -1243.605 where: short stacking energy: -537.607 Base-Backbone interact. energy: -4.099 local terms energy: -587.146362 where: bonds (distance) C4'-P energy: -123.258 bonds (distance) P-C4' energy: -154.170 flat angles C4'-P-C4' energy: -122.229 flat angles P-C4'-P energy: -88.653 tors. eta vs tors. theta energy: -98.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1342.727981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.727981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.727981 (E_RNA) where: Base-Base interactions energy: -834.996 where: short stacking energy: -391.535 Base-Backbone interact. energy: 4.577 local terms energy: -512.309078 where: bonds (distance) C4'-P energy: -124.786 bonds (distance) P-C4' energy: -146.114 flat angles C4'-P-C4' energy: -131.408 flat angles P-C4'-P energy: -57.778 tors. eta vs tors. theta energy: -52.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -997.741758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.741758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.741758 (E_RNA) where: Base-Base interactions energy: -504.578 where: short stacking energy: -309.971 Base-Backbone interact. energy: 4.295 local terms energy: -497.458772 where: bonds (distance) C4'-P energy: -126.416 bonds (distance) P-C4' energy: -149.397 flat angles C4'-P-C4' energy: -119.444 flat angles P-C4'-P energy: -58.052 tors. eta vs tors. theta energy: -44.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -3032.324174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.324174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.324174 (E_RNA) where: Base-Base interactions energy: -2158.056 where: short stacking energy: -850.155 Base-Backbone interact. energy: -5.332 local terms energy: -868.935429 where: bonds (distance) C4'-P energy: -165.151 bonds (distance) P-C4' energy: -167.860 flat angles C4'-P-C4' energy: -181.342 flat angles P-C4'-P energy: -120.893 tors. eta vs tors. theta energy: -233.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2806.137810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.137810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.137810 (E_RNA) where: Base-Base interactions energy: -1955.435 where: short stacking energy: -815.337 Base-Backbone interact. energy: -0.880 local terms energy: -849.822414 where: bonds (distance) C4'-P energy: -159.251 bonds (distance) P-C4' energy: -156.216 flat angles C4'-P-C4' energy: -185.309 flat angles P-C4'-P energy: -127.463 tors. eta vs tors. theta energy: -221.583 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: 3, replica: 1 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2723.043798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.043798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.043798 (E_RNA) where: Base-Base interactions energy: -1888.444 where: short stacking energy: -796.154 Base-Backbone interact. energy: -4.846 local terms energy: -829.754361 where: bonds (distance) C4'-P energy: -156.565 bonds (distance) P-C4' energy: -158.069 flat angles C4'-P-C4' energy: -180.042 flat angles P-C4'-P energy: -120.600 tors. eta vs tors. theta energy: -214.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2520.771254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.771254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.771254 (E_RNA) where: Base-Base interactions energy: -1730.791 where: short stacking energy: -720.873 Base-Backbone interact. energy: -0.349 local terms energy: -789.631560 where: bonds (distance) C4'-P energy: -145.853 bonds (distance) P-C4' energy: -151.738 flat angles C4'-P-C4' energy: -183.682 flat angles P-C4'-P energy: -105.682 tors. eta vs tors. theta energy: -202.677 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: 4 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2438.618381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.618381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.618381 (E_RNA) where: Base-Base interactions energy: -1702.383 where: short stacking energy: -733.409 Base-Backbone interact. energy: -3.127 local terms energy: -733.107824 where: bonds (distance) C4'-P energy: -141.579 bonds (distance) P-C4' energy: -147.271 flat angles C4'-P-C4' energy: -152.201 flat angles P-C4'-P energy: -101.434 tors. eta vs tors. theta energy: -190.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -2215.652651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.652651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.652651 (E_RNA) where: Base-Base interactions energy: -1491.467 where: short stacking energy: -640.731 Base-Backbone interact. energy: 0.989 local terms energy: -725.397499 where: bonds (distance) C4'-P energy: -155.280 bonds (distance) P-C4' energy: -129.124 flat angles C4'-P-C4' energy: -162.243 flat angles P-C4'-P energy: -111.948 tors. eta vs tors. theta energy: -166.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.223 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1974.811749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.811749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.811749 (E_RNA) where: Base-Base interactions energy: -1323.330 where: short stacking energy: -563.603 Base-Backbone interact. energy: -2.342 local terms energy: -649.139111 where: bonds (distance) C4'-P energy: -138.078 bonds (distance) P-C4' energy: -138.465 flat angles C4'-P-C4' energy: -128.571 flat angles P-C4'-P energy: -105.902 tors. eta vs tors. theta energy: -138.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1832.914933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.914933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.914933 (E_RNA) where: Base-Base interactions energy: -1207.751 where: short stacking energy: -519.019 Base-Backbone interact. energy: 4.038 local terms energy: -629.201824 where: bonds (distance) C4'-P energy: -129.521 bonds (distance) P-C4' energy: -151.082 flat angles C4'-P-C4' energy: -147.925 flat angles P-C4'-P energy: -81.157 tors. eta vs tors. theta energy: -119.517 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: 245 Temperature: 1.300000 Total energy: -1365.630923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.630923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.630923 (E_RNA) where: Base-Base interactions energy: -811.897 where: short stacking energy: -394.728 Base-Backbone interact. energy: 0.337 local terms energy: -554.070369 where: bonds (distance) C4'-P energy: -142.966 bonds (distance) P-C4' energy: -134.066 flat angles C4'-P-C4' energy: -121.498 flat angles P-C4'-P energy: -85.374 tors. eta vs tors. theta energy: -70.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -926.872446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.872446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.872446 (E_RNA) where: Base-Base interactions energy: -478.681 where: short stacking energy: -257.321 Base-Backbone interact. energy: 3.978 local terms energy: -452.169183 where: bonds (distance) C4'-P energy: -127.495 bonds (distance) P-C4' energy: -141.843 flat angles C4'-P-C4' energy: -103.974 flat angles P-C4'-P energy: -70.728 tors. eta vs tors. theta energy: -8.130 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: 1, replica: 3 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -3030.096895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.096895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.096895 (E_RNA) where: Base-Base interactions energy: -2148.930 where: short stacking energy: -863.871 Base-Backbone interact. energy: 1.950 local terms energy: -883.116322 where: bonds (distance) C4'-P energy: -164.630 bonds (distance) P-C4' energy: -175.049 flat angles C4'-P-C4' energy: -189.023 flat angles P-C4'-P energy: -118.534 tors. eta vs tors. theta energy: -235.881 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: 5 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2837.912046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.912046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.912046 (E_RNA) where: Base-Base interactions energy: -1996.271 where: short stacking energy: -837.358 Base-Backbone interact. energy: -0.749 local terms energy: -840.892039 where: bonds (distance) C4'-P energy: -149.508 bonds (distance) P-C4' energy: -170.509 flat angles C4'-P-C4' energy: -186.510 flat angles P-C4'-P energy: -111.156 tors. eta vs tors. theta energy: -223.209 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: 246 Temperature: 1.000000 Total energy: -2733.813253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.813253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.813253 (E_RNA) where: Base-Base interactions energy: -1866.702 where: short stacking energy: -774.187 Base-Backbone interact. energy: -1.509 local terms energy: -865.602104 where: bonds (distance) C4'-P energy: -169.148 bonds (distance) P-C4' energy: -175.617 flat angles C4'-P-C4' energy: -176.022 flat angles P-C4'-P energy: -132.338 tors. eta vs tors. theta energy: -212.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2562.734420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.734420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.734420 (E_RNA) where: Base-Base interactions energy: -1761.343 where: short stacking energy: -692.995 Base-Backbone interact. energy: -6.121 local terms energy: -795.270595 where: bonds (distance) C4'-P energy: -138.234 bonds (distance) P-C4' energy: -166.780 flat angles C4'-P-C4' energy: -175.753 flat angles P-C4'-P energy: -112.558 tors. eta vs tors. theta energy: -201.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2455.633836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.633836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.633836 (E_RNA) where: Base-Base interactions energy: -1696.682 where: short stacking energy: -706.597 Base-Backbone interact. energy: -3.556 local terms energy: -755.395610 where: bonds (distance) C4'-P energy: -123.972 bonds (distance) P-C4' energy: -166.349 flat angles C4'-P-C4' energy: -172.185 flat angles P-C4'-P energy: -107.471 tors. eta vs tors. theta energy: -185.418 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: 8 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -2220.675635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.675635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.675635 (E_RNA) where: Base-Base interactions energy: -1543.073 where: short stacking energy: -695.636 Base-Backbone interact. energy: 1.235 local terms energy: -678.837705 where: bonds (distance) C4'-P energy: -110.008 bonds (distance) P-C4' energy: -147.064 flat angles C4'-P-C4' energy: -162.551 flat angles P-C4'-P energy: -80.017 tors. eta vs tors. theta energy: -179.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1946.230037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.230037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.230037 (E_RNA) where: Base-Base interactions energy: -1304.763 where: short stacking energy: -564.271 Base-Backbone interact. energy: -1.115 local terms energy: -640.351907 where: bonds (distance) C4'-P energy: -118.798 bonds (distance) P-C4' energy: -140.877 flat angles C4'-P-C4' energy: -151.115 flat angles P-C4'-P energy: -105.914 tors. eta vs tors. theta energy: -123.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1874.037453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.037453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.037453 (E_RNA) where: Base-Base interactions energy: -1295.556 where: short stacking energy: -526.937 Base-Backbone interact. energy: 0.614 local terms energy: -579.095724 where: bonds (distance) C4'-P energy: -132.580 bonds (distance) P-C4' energy: -127.053 flat angles C4'-P-C4' energy: -137.416 flat angles P-C4'-P energy: -77.783 tors. eta vs tors. theta energy: -104.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1447.300685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.300685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.300685 (E_RNA) where: Base-Base interactions energy: -904.283 where: short stacking energy: -406.336 Base-Backbone interact. energy: 4.507 local terms energy: -547.524487 where: bonds (distance) C4'-P energy: -114.065 bonds (distance) P-C4' energy: -145.255 flat angles C4'-P-C4' energy: -145.084 flat angles P-C4'-P energy: -67.261 tors. eta vs tors. theta energy: -75.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -945.637677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.637677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.637677 (E_RNA) where: Base-Base interactions energy: -504.172 where: short stacking energy: -266.242 Base-Backbone interact. energy: -3.479 local terms energy: -437.987328 where: bonds (distance) C4'-P energy: -132.959 bonds (distance) P-C4' energy: -138.361 flat angles C4'-P-C4' energy: -105.760 flat angles P-C4'-P energy: -64.269 tors. eta vs tors. theta energy: 3.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -3024.080714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.080714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.080714 (E_RNA) where: Base-Base interactions energy: -2168.131 where: short stacking energy: -866.037 Base-Backbone interact. energy: -2.822 local terms energy: -853.128087 where: bonds (distance) C4'-P energy: -151.903 bonds (distance) P-C4' energy: -151.358 flat angles C4'-P-C4' energy: -178.551 flat angles P-C4'-P energy: -139.222 tors. eta vs tors. theta energy: -232.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2862.846778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.846778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.846778 (E_RNA) where: Base-Base interactions energy: -1976.876 where: short stacking energy: -828.611 Base-Backbone interact. energy: -5.842 local terms energy: -880.128755 where: bonds (distance) C4'-P energy: -170.782 bonds (distance) P-C4' energy: -175.044 flat angles C4'-P-C4' energy: -176.886 flat angles P-C4'-P energy: -131.872 tors. eta vs tors. theta energy: -225.544 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: 1 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2710.527593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.527593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.527593 (E_RNA) where: Base-Base interactions energy: -1872.834 where: short stacking energy: -773.230 Base-Backbone interact. energy: -3.910 local terms energy: -833.783083 where: bonds (distance) C4'-P energy: -154.344 bonds (distance) P-C4' energy: -181.571 flat angles C4'-P-C4' energy: -180.196 flat angles P-C4'-P energy: -108.772 tors. eta vs tors. theta energy: -208.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2487.203941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.203941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.203941 (E_RNA) where: Base-Base interactions energy: -1724.837 where: short stacking energy: -728.161 Base-Backbone interact. energy: 2.009 local terms energy: -764.375899 where: bonds (distance) C4'-P energy: -137.382 bonds (distance) P-C4' energy: -146.614 flat angles C4'-P-C4' energy: -184.511 flat angles P-C4'-P energy: -116.110 tors. eta vs tors. theta energy: -179.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2428.898705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.898705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.898705 (E_RNA) where: Base-Base interactions energy: -1669.157 where: short stacking energy: -695.918 Base-Backbone interact. energy: -1.192 local terms energy: -758.549072 where: bonds (distance) C4'-P energy: -131.083 bonds (distance) P-C4' energy: -147.496 flat angles C4'-P-C4' energy: -172.919 flat angles P-C4'-P energy: -122.558 tors. eta vs tors. theta energy: -184.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -2230.508920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.508920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.508920 (E_RNA) where: Base-Base interactions energy: -1522.743 where: short stacking energy: -632.497 Base-Backbone interact. energy: -2.032 local terms energy: -705.734680 where: bonds (distance) C4'-P energy: -138.018 bonds (distance) P-C4' energy: -148.153 flat angles C4'-P-C4' energy: -166.013 flat angles P-C4'-P energy: -91.232 tors. eta vs tors. theta energy: -162.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1950.816414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.816414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.816414 (E_RNA) where: Base-Base interactions energy: -1323.721 where: short stacking energy: -578.170 Base-Backbone interact. energy: -1.078 local terms energy: -626.017200 where: bonds (distance) C4'-P energy: -137.266 bonds (distance) P-C4' energy: -143.588 flat angles C4'-P-C4' energy: -135.121 flat angles P-C4'-P energy: -90.764 tors. eta vs tors. theta energy: -119.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1862.722712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.722712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.722712 (E_RNA) where: Base-Base interactions energy: -1245.745 where: short stacking energy: -533.852 Base-Backbone interact. energy: 5.758 local terms energy: -622.736236 where: bonds (distance) C4'-P energy: -122.522 bonds (distance) P-C4' energy: -146.948 flat angles C4'-P-C4' energy: -149.714 flat angles P-C4'-P energy: -80.264 tors. eta vs tors. theta energy: -123.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1487.515371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.515371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.515371 (E_RNA) where: Base-Base interactions energy: -932.968 where: short stacking energy: -424.516 Base-Backbone interact. energy: -3.574 local terms energy: -550.973846 where: bonds (distance) C4'-P energy: -116.985 bonds (distance) P-C4' energy: -140.223 flat angles C4'-P-C4' energy: -134.290 flat angles P-C4'-P energy: -81.697 tors. eta vs tors. theta energy: -77.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -940.461960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.461960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.461960 (E_RNA) where: Base-Base interactions energy: -496.857 where: short stacking energy: -280.899 Base-Backbone interact. energy: 2.991 local terms energy: -446.595770 where: bonds (distance) C4'-P energy: -124.458 bonds (distance) P-C4' energy: -141.030 flat angles C4'-P-C4' energy: -111.763 flat angles P-C4'-P energy: -66.286 tors. eta vs tors. theta energy: -3.060 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: 3 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -3061.521033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.521033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.521033 (E_RNA) where: Base-Base interactions energy: -2202.240 where: short stacking energy: -863.946 Base-Backbone interact. energy: -6.100 local terms energy: -853.181628 where: bonds (distance) C4'-P energy: -150.876 bonds (distance) P-C4' energy: -167.964 flat angles C4'-P-C4' energy: -185.994 flat angles P-C4'-P energy: -123.992 tors. eta vs tors. theta energy: -224.356 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: 5 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2835.057811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.057811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.057811 (E_RNA) where: Base-Base interactions energy: -1990.564 where: short stacking energy: -827.254 Base-Backbone interact. energy: -5.410 local terms energy: -839.083247 where: bonds (distance) C4'-P energy: -147.079 bonds (distance) P-C4' energy: -173.973 flat angles C4'-P-C4' energy: -182.645 flat angles P-C4'-P energy: -107.242 tors. eta vs tors. theta energy: -228.144 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: 1 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2714.913495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.913495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.913495 (E_RNA) where: Base-Base interactions energy: -1905.031 where: short stacking energy: -793.826 Base-Backbone interact. energy: -4.751 local terms energy: -805.130976 where: bonds (distance) C4'-P energy: -139.243 bonds (distance) P-C4' energy: -157.421 flat angles C4'-P-C4' energy: -186.100 flat angles P-C4'-P energy: -102.568 tors. eta vs tors. theta energy: -219.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2520.991426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.991426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.991426 (E_RNA) where: Base-Base interactions energy: -1737.860 where: short stacking energy: -719.897 Base-Backbone interact. energy: -3.872 local terms energy: -779.259572 where: bonds (distance) C4'-P energy: -137.024 bonds (distance) P-C4' energy: -175.094 flat angles C4'-P-C4' energy: -163.293 flat angles P-C4'-P energy: -111.547 tors. eta vs tors. theta energy: -192.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2443.982546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.982546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.982546 (E_RNA) where: Base-Base interactions energy: -1662.711 where: short stacking energy: -684.993 Base-Backbone interact. energy: -1.715 local terms energy: -779.556041 where: bonds (distance) C4'-P energy: -143.036 bonds (distance) P-C4' energy: -163.534 flat angles C4'-P-C4' energy: -166.423 flat angles P-C4'-P energy: -116.796 tors. eta vs tors. theta energy: -189.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -2209.846522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.846522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.846522 (E_RNA) where: Base-Base interactions energy: -1505.034 where: short stacking energy: -654.741 Base-Backbone interact. energy: 3.022 local terms energy: -707.834293 where: bonds (distance) C4'-P energy: -147.986 bonds (distance) P-C4' energy: -154.764 flat angles C4'-P-C4' energy: -160.275 flat angles P-C4'-P energy: -103.006 tors. eta vs tors. theta energy: -141.804 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: 6 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1978.444171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.444171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.444171 (E_RNA) where: Base-Base interactions energy: -1299.348 where: short stacking energy: -579.564 Base-Backbone interact. energy: 2.998 local terms energy: -682.094651 where: bonds (distance) C4'-P energy: -138.277 bonds (distance) P-C4' energy: -148.652 flat angles C4'-P-C4' energy: -145.553 flat angles P-C4'-P energy: -115.092 tors. eta vs tors. theta energy: -134.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1853.922534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.922534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.922534 (E_RNA) where: Base-Base interactions energy: -1243.955 where: short stacking energy: -513.304 Base-Backbone interact. energy: 1.398 local terms energy: -611.365467 where: bonds (distance) C4'-P energy: -144.940 bonds (distance) P-C4' energy: -141.501 flat angles C4'-P-C4' energy: -125.155 flat angles P-C4'-P energy: -99.362 tors. eta vs tors. theta energy: -100.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1465.601980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.601980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.601980 (E_RNA) where: Base-Base interactions energy: -907.639 where: short stacking energy: -408.717 Base-Backbone interact. energy: 0.045 local terms energy: -558.007848 where: bonds (distance) C4'-P energy: -144.486 bonds (distance) P-C4' energy: -135.135 flat angles C4'-P-C4' energy: -117.098 flat angles P-C4'-P energy: -106.670 tors. eta vs tors. theta energy: -54.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -956.413275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.413275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.413275 (E_RNA) where: Base-Base interactions energy: -521.575 where: short stacking energy: -297.869 Base-Backbone interact. energy: 1.264 local terms energy: -436.102061 where: bonds (distance) C4'-P energy: -101.496 bonds (distance) P-C4' energy: -133.503 flat angles C4'-P-C4' energy: -119.395 flat angles P-C4'-P energy: -76.763 tors. eta vs tors. theta energy: -4.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -3054.851218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.851218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.851218 (E_RNA) where: Base-Base interactions energy: -2175.533 where: short stacking energy: -853.420 Base-Backbone interact. energy: -5.108 local terms energy: -874.210943 where: bonds (distance) C4'-P energy: -158.637 bonds (distance) P-C4' energy: -166.234 flat angles C4'-P-C4' energy: -185.481 flat angles P-C4'-P energy: -123.680 tors. eta vs tors. theta energy: -240.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2823.196203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.196203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.196203 (E_RNA) where: Base-Base interactions energy: -1985.748 where: short stacking energy: -836.807 Base-Backbone interact. energy: -3.135 local terms energy: -834.312932 where: bonds (distance) C4'-P energy: -129.844 bonds (distance) P-C4' energy: -159.885 flat angles C4'-P-C4' energy: -195.819 flat angles P-C4'-P energy: -121.557 tors. eta vs tors. theta energy: -227.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2721.343640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.343640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.343640 (E_RNA) where: Base-Base interactions energy: -1882.017 where: short stacking energy: -777.301 Base-Backbone interact. energy: -1.943 local terms energy: -837.384166 where: bonds (distance) C4'-P energy: -151.501 bonds (distance) P-C4' energy: -153.419 flat angles C4'-P-C4' energy: -183.700 flat angles P-C4'-P energy: -129.141 tors. eta vs tors. theta energy: -219.622 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: 4 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2548.350938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.350938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.350938 (E_RNA) where: Base-Base interactions energy: -1783.324 where: short stacking energy: -716.569 Base-Backbone interact. energy: -6.983 local terms energy: -758.043897 where: bonds (distance) C4'-P energy: -145.855 bonds (distance) P-C4' energy: -147.769 flat angles C4'-P-C4' energy: -178.537 flat angles P-C4'-P energy: -108.757 tors. eta vs tors. theta energy: -177.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2479.338716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.338716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.338716 (E_RNA) where: Base-Base interactions energy: -1722.580 where: short stacking energy: -714.994 Base-Backbone interact. energy: -2.073 local terms energy: -754.685481 where: bonds (distance) C4'-P energy: -139.274 bonds (distance) P-C4' energy: -163.757 flat angles C4'-P-C4' energy: -168.370 flat angles P-C4'-P energy: -92.703 tors. eta vs tors. theta energy: -190.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -2252.890886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.890886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.890886 (E_RNA) where: Base-Base interactions energy: -1560.632 where: short stacking energy: -635.626 Base-Backbone interact. energy: -0.860 local terms energy: -691.399598 where: bonds (distance) C4'-P energy: -150.084 bonds (distance) P-C4' energy: -128.610 flat angles C4'-P-C4' energy: -153.546 flat angles P-C4'-P energy: -105.705 tors. eta vs tors. theta energy: -153.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1982.220768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.220768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.220768 (E_RNA) where: Base-Base interactions energy: -1322.587 where: short stacking energy: -573.412 Base-Backbone interact. energy: -1.581 local terms energy: -658.052707 where: bonds (distance) C4'-P energy: -131.636 bonds (distance) P-C4' energy: -148.869 flat angles C4'-P-C4' energy: -150.545 flat angles P-C4'-P energy: -90.112 tors. eta vs tors. theta energy: -136.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1846.308583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.308583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.308583 (E_RNA) where: Base-Base interactions energy: -1222.712 where: short stacking energy: -526.167 Base-Backbone interact. energy: -0.485 local terms energy: -623.111459 where: bonds (distance) C4'-P energy: -131.820 bonds (distance) P-C4' energy: -150.968 flat angles C4'-P-C4' energy: -141.024 flat angles P-C4'-P energy: -86.854 tors. eta vs tors. theta energy: -112.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1464.101606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.101606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.101606 (E_RNA) where: Base-Base interactions energy: -934.210 where: short stacking energy: -440.831 Base-Backbone interact. energy: 2.384 local terms energy: -532.276103 where: bonds (distance) C4'-P energy: -122.998 bonds (distance) P-C4' energy: -138.784 flat angles C4'-P-C4' energy: -141.179 flat angles P-C4'-P energy: -70.268 tors. eta vs tors. theta energy: -59.047 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: 10 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -948.472021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.472021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.472021 (E_RNA) where: Base-Base interactions energy: -494.318 where: short stacking energy: -262.592 Base-Backbone interact. energy: 0.714 local terms energy: -454.868378 where: bonds (distance) C4'-P energy: -135.308 bonds (distance) P-C4' energy: -128.147 flat angles C4'-P-C4' energy: -112.499 flat angles P-C4'-P energy: -70.921 tors. eta vs tors. theta energy: -7.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -3072.863354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.863354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.863354 (E_RNA) where: Base-Base interactions energy: -2171.305 where: short stacking energy: -879.124 Base-Backbone interact. energy: -6.946 local terms energy: -894.612482 where: bonds (distance) C4'-P energy: -173.475 bonds (distance) P-C4' energy: -159.654 flat angles C4'-P-C4' energy: -189.989 flat angles P-C4'-P energy: -129.603 tors. eta vs tors. theta energy: -241.891 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: 250 Temperature: 0.950000 Total energy: -2818.463885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.463885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.463885 (E_RNA) where: Base-Base interactions energy: -1979.161 where: short stacking energy: -829.031 Base-Backbone interact. energy: -4.993 local terms energy: -834.309319 where: bonds (distance) C4'-P energy: -158.447 bonds (distance) P-C4' energy: -149.251 flat angles C4'-P-C4' energy: -184.359 flat angles P-C4'-P energy: -116.898 tors. eta vs tors. theta energy: -225.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2748.827871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.827871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.827871 (E_RNA) where: Base-Base interactions energy: -1935.473 where: short stacking energy: -818.245 Base-Backbone interact. energy: -7.059 local terms energy: -806.296706 where: bonds (distance) C4'-P energy: -150.296 bonds (distance) P-C4' energy: -140.347 flat angles C4'-P-C4' energy: -171.996 flat angles P-C4'-P energy: -117.061 tors. eta vs tors. theta energy: -226.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2530.464141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.464141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.464141 (E_RNA) where: Base-Base interactions energy: -1749.301 where: short stacking energy: -716.855 Base-Backbone interact. energy: -1.565 local terms energy: -779.598420 where: bonds (distance) C4'-P energy: -142.552 bonds (distance) P-C4' energy: -164.495 flat angles C4'-P-C4' energy: -171.816 flat angles P-C4'-P energy: -110.767 tors. eta vs tors. theta energy: -189.968 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: 7 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2517.455933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.455933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.455933 (E_RNA) where: Base-Base interactions energy: -1737.734 where: short stacking energy: -689.262 Base-Backbone interact. energy: -3.554 local terms energy: -776.168026 where: bonds (distance) C4'-P energy: -139.017 bonds (distance) P-C4' energy: -164.124 flat angles C4'-P-C4' energy: -155.483 flat angles P-C4'-P energy: -112.479 tors. eta vs tors. theta energy: -205.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -2196.985691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.985691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.985691 (E_RNA) where: Base-Base interactions energy: -1482.755 where: short stacking energy: -635.229 Base-Backbone interact. energy: 0.015 local terms energy: -714.246160 where: bonds (distance) C4'-P energy: -141.040 bonds (distance) P-C4' energy: -146.397 flat angles C4'-P-C4' energy: -163.826 flat angles P-C4'-P energy: -104.548 tors. eta vs tors. theta energy: -158.435 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: 6 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -2003.697478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.697478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.697478 (E_RNA) where: Base-Base interactions energy: -1376.319 where: short stacking energy: -611.382 Base-Backbone interact. energy: 1.052 local terms energy: -628.430651 where: bonds (distance) C4'-P energy: -130.791 bonds (distance) P-C4' energy: -126.815 flat angles C4'-P-C4' energy: -135.468 flat angles P-C4'-P energy: -86.782 tors. eta vs tors. theta energy: -148.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1806.404250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.404250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.404250 (E_RNA) where: Base-Base interactions energy: -1208.892 where: short stacking energy: -511.173 Base-Backbone interact. energy: 0.131 local terms energy: -597.642906 where: bonds (distance) C4'-P energy: -112.045 bonds (distance) P-C4' energy: -157.276 flat angles C4'-P-C4' energy: -145.981 flat angles P-C4'-P energy: -82.399 tors. eta vs tors. theta energy: -99.942 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: 250 Temperature: 1.300000 Total energy: -1453.396991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.396991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.396991 (E_RNA) where: Base-Base interactions energy: -927.361 where: short stacking energy: -430.314 Base-Backbone interact. energy: 0.746 local terms energy: -526.782346 where: bonds (distance) C4'-P energy: -123.764 bonds (distance) P-C4' energy: -139.141 flat angles C4'-P-C4' energy: -127.451 flat angles P-C4'-P energy: -71.090 tors. eta vs tors. theta energy: -65.337 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: 250 Temperature: 1.350000 Total energy: -1083.813146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.813146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.813146 (E_RNA) where: Base-Base interactions energy: -615.339 where: short stacking energy: -311.579 Base-Backbone interact. energy: 3.423 local terms energy: -471.896725 where: bonds (distance) C4'-P energy: -134.013 bonds (distance) P-C4' energy: -149.315 flat angles C4'-P-C4' energy: -114.346 flat angles P-C4'-P energy: -47.263 tors. eta vs tors. theta energy: -26.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -3044.302696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.302696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.302696 (E_RNA) where: Base-Base interactions energy: -2139.713 where: short stacking energy: -851.681 Base-Backbone interact. energy: -6.076 local terms energy: -898.512953 where: bonds (distance) C4'-P energy: -169.467 bonds (distance) P-C4' energy: -169.756 flat angles C4'-P-C4' energy: -191.417 flat angles P-C4'-P energy: -126.087 tors. eta vs tors. theta energy: -241.785 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: 5 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2879.242047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.242047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.242047 (E_RNA) where: Base-Base interactions energy: -2022.347 where: short stacking energy: -826.320 Base-Backbone interact. energy: -6.609 local terms energy: -850.286186 where: bonds (distance) C4'-P energy: -164.667 bonds (distance) P-C4' energy: -164.302 flat angles C4'-P-C4' energy: -179.522 flat angles P-C4'-P energy: -114.207 tors. eta vs tors. theta energy: -227.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2732.908399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.908399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.908399 (E_RNA) where: Base-Base interactions energy: -1887.926 where: short stacking energy: -793.543 Base-Backbone interact. energy: -4.374 local terms energy: -840.608060 where: bonds (distance) C4'-P energy: -160.300 bonds (distance) P-C4' energy: -156.920 flat angles C4'-P-C4' energy: -182.947 flat angles P-C4'-P energy: -112.875 tors. eta vs tors. theta energy: -227.567 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: 4 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2536.944277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.944277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.944277 (E_RNA) where: Base-Base interactions energy: -1755.910 where: short stacking energy: -739.878 Base-Backbone interact. energy: 3.218 local terms energy: -784.252274 where: bonds (distance) C4'-P energy: -135.201 bonds (distance) P-C4' energy: -168.526 flat angles C4'-P-C4' energy: -181.806 flat angles P-C4'-P energy: -119.949 tors. eta vs tors. theta energy: -178.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2514.997093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.997093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.997093 (E_RNA) where: Base-Base interactions energy: -1748.074 where: short stacking energy: -738.310 Base-Backbone interact. energy: -3.267 local terms energy: -763.656182 where: bonds (distance) C4'-P energy: -124.605 bonds (distance) P-C4' energy: -148.888 flat angles C4'-P-C4' energy: -183.614 flat angles P-C4'-P energy: -97.746 tors. eta vs tors. theta energy: -208.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -2195.335051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.335051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.335051 (E_RNA) where: Base-Base interactions energy: -1502.782 where: short stacking energy: -624.675 Base-Backbone interact. energy: -1.045 local terms energy: -691.507587 where: bonds (distance) C4'-P energy: -130.230 bonds (distance) P-C4' energy: -155.026 flat angles C4'-P-C4' energy: -162.208 flat angles P-C4'-P energy: -100.217 tors. eta vs tors. theta energy: -143.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1953.550717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.550717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.550717 (E_RNA) where: Base-Base interactions energy: -1286.100 where: short stacking energy: -576.104 Base-Backbone interact. energy: 2.271 local terms energy: -669.721552 where: bonds (distance) C4'-P energy: -144.973 bonds (distance) P-C4' energy: -156.998 flat angles C4'-P-C4' energy: -151.476 flat angles P-C4'-P energy: -93.037 tors. eta vs tors. theta energy: -123.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1874.370727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.370727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.370727 (E_RNA) where: Base-Base interactions energy: -1253.217 where: short stacking energy: -555.225 Base-Backbone interact. energy: -2.829 local terms energy: -618.324816 where: bonds (distance) C4'-P energy: -124.007 bonds (distance) P-C4' energy: -137.238 flat angles C4'-P-C4' energy: -160.088 flat angles P-C4'-P energy: -79.087 tors. eta vs tors. theta energy: -117.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1390.644152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.644152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.644152 (E_RNA) where: Base-Base interactions energy: -886.299 where: short stacking energy: -407.945 Base-Backbone interact. energy: 0.336 local terms energy: -504.681214 where: bonds (distance) C4'-P energy: -103.763 bonds (distance) P-C4' energy: -140.716 flat angles C4'-P-C4' energy: -143.165 flat angles P-C4'-P energy: -67.751 tors. eta vs tors. theta energy: -49.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -1055.838057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.838057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.838057 (E_RNA) where: Base-Base interactions energy: -580.054 where: short stacking energy: -311.302 Base-Backbone interact. energy: -1.995 local terms energy: -473.788943 where: bonds (distance) C4'-P energy: -110.675 bonds (distance) P-C4' energy: -152.637 flat angles C4'-P-C4' energy: -111.798 flat angles P-C4'-P energy: -69.299 tors. eta vs tors. theta energy: -29.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -3062.543736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.543736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.543736 (E_RNA) where: Base-Base interactions energy: -2191.930 where: short stacking energy: -864.928 Base-Backbone interact. energy: -8.616 local terms energy: -861.997641 where: bonds (distance) C4'-P energy: -153.395 bonds (distance) P-C4' energy: -163.863 flat angles C4'-P-C4' energy: -189.040 flat angles P-C4'-P energy: -122.661 tors. eta vs tors. theta energy: -233.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2827.999554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.999554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.999554 (E_RNA) where: Base-Base interactions energy: -1966.030 where: short stacking energy: -831.456 Base-Backbone interact. energy: -3.800 local terms energy: -858.169585 where: bonds (distance) C4'-P energy: -149.808 bonds (distance) P-C4' energy: -160.498 flat angles C4'-P-C4' energy: -189.198 flat angles P-C4'-P energy: -129.343 tors. eta vs tors. theta energy: -229.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2739.674999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.674999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.674999 (E_RNA) where: Base-Base interactions energy: -1899.669 where: short stacking energy: -786.523 Base-Backbone interact. energy: -2.837 local terms energy: -837.169291 where: bonds (distance) C4'-P energy: -143.214 bonds (distance) P-C4' energy: -172.345 flat angles C4'-P-C4' energy: -182.115 flat angles P-C4'-P energy: -118.330 tors. eta vs tors. theta energy: -221.165 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: 4 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2523.446460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.446460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.446460 (E_RNA) where: Base-Base interactions energy: -1768.981 where: short stacking energy: -735.008 Base-Backbone interact. energy: -4.380 local terms energy: -750.085418 where: bonds (distance) C4'-P energy: -141.968 bonds (distance) P-C4' energy: -161.343 flat angles C4'-P-C4' energy: -161.487 flat angles P-C4'-P energy: -98.621 tors. eta vs tors. theta energy: -186.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2545.669925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.669925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.669925 (E_RNA) where: Base-Base interactions energy: -1761.922 where: short stacking energy: -716.864 Base-Backbone interact. energy: -3.669 local terms energy: -780.079458 where: bonds (distance) C4'-P energy: -144.730 bonds (distance) P-C4' energy: -164.717 flat angles C4'-P-C4' energy: -163.053 flat angles P-C4'-P energy: -110.990 tors. eta vs tors. theta energy: -196.589 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: 6, replica: 8 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -2210.316043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.316043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.316043 (E_RNA) where: Base-Base interactions energy: -1499.807 where: short stacking energy: -616.739 Base-Backbone interact. energy: -1.408 local terms energy: -709.101233 where: bonds (distance) C4'-P energy: -134.936 bonds (distance) P-C4' energy: -152.688 flat angles C4'-P-C4' energy: -165.072 flat angles P-C4'-P energy: -103.733 tors. eta vs tors. theta energy: -152.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1968.023205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.023205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.023205 (E_RNA) where: Base-Base interactions energy: -1292.975 where: short stacking energy: -565.327 Base-Backbone interact. energy: -6.103 local terms energy: -668.945336 where: bonds (distance) C4'-P energy: -143.120 bonds (distance) P-C4' energy: -153.276 flat angles C4'-P-C4' energy: -148.707 flat angles P-C4'-P energy: -98.001 tors. eta vs tors. theta energy: -125.842 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: 8, replica: 2 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1817.685643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.685643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.685643 (E_RNA) where: Base-Base interactions energy: -1206.960 where: short stacking energy: -522.863 Base-Backbone interact. energy: 0.399 local terms energy: -611.124771 where: bonds (distance) C4'-P energy: -119.067 bonds (distance) P-C4' energy: -157.237 flat angles C4'-P-C4' energy: -137.241 flat angles P-C4'-P energy: -89.651 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: 9, replica: 9 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1391.214771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.214771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.214771 (E_RNA) where: Base-Base interactions energy: -886.106 where: short stacking energy: -391.541 Base-Backbone interact. energy: -4.047 local terms energy: -501.061795 where: bonds (distance) C4'-P energy: -115.992 bonds (distance) P-C4' energy: -137.636 flat angles C4'-P-C4' energy: -124.114 flat angles P-C4'-P energy: -83.818 tors. eta vs tors. theta energy: -39.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -967.274128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.274128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.274128 (E_RNA) where: Base-Base interactions energy: -525.634 where: short stacking energy: -293.219 Base-Backbone interact. energy: -0.440 local terms energy: -441.199950 where: bonds (distance) C4'-P energy: -116.146 bonds (distance) P-C4' energy: -122.027 flat angles C4'-P-C4' energy: -119.561 flat angles P-C4'-P energy: -60.534 tors. eta vs tors. theta energy: -22.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -3068.164249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.164249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.164249 (E_RNA) where: Base-Base interactions energy: -2218.165 where: short stacking energy: -865.030 Base-Backbone interact. energy: -6.059 local terms energy: -843.940032 where: bonds (distance) C4'-P energy: -150.796 bonds (distance) P-C4' energy: -151.076 flat angles C4'-P-C4' energy: -176.565 flat angles P-C4'-P energy: -127.086 tors. eta vs tors. theta energy: -238.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2813.371572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.371572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.371572 (E_RNA) where: Base-Base interactions energy: -1938.521 where: short stacking energy: -832.779 Base-Backbone interact. energy: -5.727 local terms energy: -869.122733 where: bonds (distance) C4'-P energy: -158.756 bonds (distance) P-C4' energy: -169.641 flat angles C4'-P-C4' energy: -182.552 flat angles P-C4'-P energy: -129.380 tors. eta vs tors. theta energy: -228.792 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: 1 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2736.424348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.424348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.424348 (E_RNA) where: Base-Base interactions energy: -1921.051 where: short stacking energy: -821.011 Base-Backbone interact. energy: -0.602 local terms energy: -814.770783 where: bonds (distance) C4'-P energy: -134.028 bonds (distance) P-C4' energy: -147.814 flat angles C4'-P-C4' energy: -176.260 flat angles P-C4'-P energy: -128.285 tors. eta vs tors. theta energy: -228.383 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: 4 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2474.125533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.125533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.125533 (E_RNA) where: Base-Base interactions energy: -1721.930 where: short stacking energy: -720.966 Base-Backbone interact. energy: -2.177 local terms energy: -750.018407 where: bonds (distance) C4'-P energy: -131.294 bonds (distance) P-C4' energy: -131.605 flat angles C4'-P-C4' energy: -177.030 flat angles P-C4'-P energy: -126.822 tors. eta vs tors. theta energy: -183.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2476.559485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.559485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.559485 (E_RNA) where: Base-Base interactions energy: -1669.947 where: short stacking energy: -693.328 Base-Backbone interact. energy: -3.626 local terms energy: -802.986996 where: bonds (distance) C4'-P energy: -154.582 bonds (distance) P-C4' energy: -161.608 flat angles C4'-P-C4' energy: -174.448 flat angles P-C4'-P energy: -125.077 tors. eta vs tors. theta energy: -187.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -2104.340761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.340761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.340761 (E_RNA) where: Base-Base interactions energy: -1448.687 where: short stacking energy: -620.837 Base-Backbone interact. energy: -3.169 local terms energy: -652.485271 where: bonds (distance) C4'-P energy: -129.298 bonds (distance) P-C4' energy: -133.269 flat angles C4'-P-C4' energy: -157.600 flat angles P-C4'-P energy: -91.652 tors. eta vs tors. theta energy: -140.666 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: 253 Temperature: 1.200000 Total energy: -2027.667746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.667746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.667746 (E_RNA) where: Base-Base interactions energy: -1332.976 where: short stacking energy: -586.026 Base-Backbone interact. energy: -4.440 local terms energy: -690.251736 where: bonds (distance) C4'-P energy: -154.332 bonds (distance) P-C4' energy: -155.067 flat angles C4'-P-C4' energy: -149.035 flat angles P-C4'-P energy: -89.674 tors. eta vs tors. theta energy: -142.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1831.629674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.629674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.629674 (E_RNA) where: Base-Base interactions energy: -1223.739 where: short stacking energy: -520.272 Base-Backbone interact. energy: 0.582 local terms energy: -608.472319 where: bonds (distance) C4'-P energy: -141.512 bonds (distance) P-C4' energy: -129.094 flat angles C4'-P-C4' energy: -131.140 flat angles P-C4'-P energy: -93.097 tors. eta vs tors. theta energy: -113.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1338.971076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.971076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.971076 (E_RNA) where: Base-Base interactions energy: -844.162 where: short stacking energy: -395.409 Base-Backbone interact. energy: -1.167 local terms energy: -493.641806 where: bonds (distance) C4'-P energy: -126.576 bonds (distance) P-C4' energy: -128.637 flat angles C4'-P-C4' energy: -111.116 flat angles P-C4'-P energy: -78.509 tors. eta vs tors. theta energy: -48.803 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: 10, replica: 10 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -969.404519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.404519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.404519 (E_RNA) where: Base-Base interactions energy: -491.467 where: short stacking energy: -260.432 Base-Backbone interact. energy: 6.022 local terms energy: -483.959769 where: bonds (distance) C4'-P energy: -116.007 bonds (distance) P-C4' energy: -151.537 flat angles C4'-P-C4' energy: -136.027 flat angles P-C4'-P energy: -61.879 tors. eta vs tors. theta energy: -18.510 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: 3 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -3075.189271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.189271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.189271 (E_RNA) where: Base-Base interactions energy: -2186.165 where: short stacking energy: -869.765 Base-Backbone interact. energy: -2.336 local terms energy: -886.687797 where: bonds (distance) C4'-P energy: -157.129 bonds (distance) P-C4' energy: -164.692 flat angles C4'-P-C4' energy: -196.744 flat angles P-C4'-P energy: -131.928 tors. eta vs tors. theta energy: -236.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2795.069162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.069162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.069162 (E_RNA) where: Base-Base interactions energy: -1936.531 where: short stacking energy: -783.218 Base-Backbone interact. energy: -5.882 local terms energy: -852.656133 where: bonds (distance) C4'-P energy: -159.795 bonds (distance) P-C4' energy: -167.436 flat angles C4'-P-C4' energy: -188.570 flat angles P-C4'-P energy: -119.692 tors. eta vs tors. theta energy: -217.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2696.643715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.643715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.643715 (E_RNA) where: Base-Base interactions energy: -1848.969 where: short stacking energy: -767.846 Base-Backbone interact. energy: -3.720 local terms energy: -843.954951 where: bonds (distance) C4'-P energy: -168.393 bonds (distance) P-C4' energy: -169.489 flat angles C4'-P-C4' energy: -176.026 flat angles P-C4'-P energy: -118.035 tors. eta vs tors. theta energy: -212.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2511.123506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.123506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.123506 (E_RNA) where: Base-Base interactions energy: -1735.375 where: short stacking energy: -706.436 Base-Backbone interact. energy: 1.650 local terms energy: -777.398612 where: bonds (distance) C4'-P energy: -147.141 bonds (distance) P-C4' energy: -133.898 flat angles C4'-P-C4' energy: -183.205 flat angles P-C4'-P energy: -123.388 tors. eta vs tors. theta energy: -189.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2488.586178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.586178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.586178 (E_RNA) where: Base-Base interactions energy: -1724.759 where: short stacking energy: -722.824 Base-Backbone interact. energy: -3.908 local terms energy: -759.918887 where: bonds (distance) C4'-P energy: -131.277 bonds (distance) P-C4' energy: -147.492 flat angles C4'-P-C4' energy: -165.383 flat angles P-C4'-P energy: -116.237 tors. eta vs tors. theta energy: -199.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -2168.765386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.765386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.765386 (E_RNA) where: Base-Base interactions energy: -1489.116 where: short stacking energy: -620.509 Base-Backbone interact. energy: 0.018 local terms energy: -679.667483 where: bonds (distance) C4'-P energy: -138.438 bonds (distance) P-C4' energy: -150.538 flat angles C4'-P-C4' energy: -144.271 flat angles P-C4'-P energy: -85.683 tors. eta vs tors. theta energy: -160.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -2025.918962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.918962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.918962 (E_RNA) where: Base-Base interactions energy: -1351.164 where: short stacking energy: -581.153 Base-Backbone interact. energy: 3.793 local terms energy: -678.548745 where: bonds (distance) C4'-P energy: -145.336 bonds (distance) P-C4' energy: -163.521 flat angles C4'-P-C4' energy: -153.492 flat angles P-C4'-P energy: -85.673 tors. eta vs tors. theta energy: -130.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1865.394125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.394125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.394125 (E_RNA) where: Base-Base interactions energy: -1234.288 where: short stacking energy: -538.533 Base-Backbone interact. energy: 3.837 local terms energy: -634.943440 where: bonds (distance) C4'-P energy: -121.029 bonds (distance) P-C4' energy: -143.998 flat angles C4'-P-C4' energy: -157.261 flat angles P-C4'-P energy: -95.582 tors. eta vs tors. theta energy: -117.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1332.942651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.942651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.942651 (E_RNA) where: Base-Base interactions energy: -798.290 where: short stacking energy: -398.748 Base-Backbone interact. energy: -1.554 local terms energy: -533.098483 where: bonds (distance) C4'-P energy: -135.344 bonds (distance) P-C4' energy: -140.838 flat angles C4'-P-C4' energy: -125.361 flat angles P-C4'-P energy: -70.658 tors. eta vs tors. theta energy: -60.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -955.031664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.031664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.031664 (E_RNA) where: Base-Base interactions energy: -527.510 where: short stacking energy: -276.834 Base-Backbone interact. energy: 3.088 local terms energy: -430.609350 where: bonds (distance) C4'-P energy: -120.740 bonds (distance) P-C4' energy: -138.883 flat angles C4'-P-C4' energy: -103.194 flat angles P-C4'-P energy: -71.460 tors. eta vs tors. theta energy: 3.669 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: 3 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -3074.492227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.492227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.492227 (E_RNA) where: Base-Base interactions energy: -2182.981 where: short stacking energy: -876.671 Base-Backbone interact. energy: -8.390 local terms energy: -883.121205 where: bonds (distance) C4'-P energy: -145.718 bonds (distance) P-C4' energy: -190.505 flat angles C4'-P-C4' energy: -182.381 flat angles P-C4'-P energy: -128.941 tors. eta vs tors. theta energy: -235.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2817.744424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.744424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.744424 (E_RNA) where: Base-Base interactions energy: -1966.040 where: short stacking energy: -825.565 Base-Backbone interact. energy: -0.549 local terms energy: -851.155863 where: bonds (distance) C4'-P energy: -150.708 bonds (distance) P-C4' energy: -166.345 flat angles C4'-P-C4' energy: -186.084 flat angles P-C4'-P energy: -118.676 tors. eta vs tors. theta energy: -229.344 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: 1 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2723.293845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.293845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.293845 (E_RNA) where: Base-Base interactions energy: -1890.181 where: short stacking energy: -765.755 Base-Backbone interact. energy: -3.765 local terms energy: -829.347686 where: bonds (distance) C4'-P energy: -162.769 bonds (distance) P-C4' energy: -160.195 flat angles C4'-P-C4' energy: -166.742 flat angles P-C4'-P energy: -126.537 tors. eta vs tors. theta energy: -213.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2530.328619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.328619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.328619 (E_RNA) where: Base-Base interactions energy: -1750.271 where: short stacking energy: -733.423 Base-Backbone interact. energy: -1.612 local terms energy: -778.445981 where: bonds (distance) C4'-P energy: -155.136 bonds (distance) P-C4' energy: -153.249 flat angles C4'-P-C4' energy: -175.308 flat angles P-C4'-P energy: -99.467 tors. eta vs tors. theta energy: -195.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2498.751356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.751356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.751356 (E_RNA) where: Base-Base interactions energy: -1766.602 where: short stacking energy: -740.480 Base-Backbone interact. energy: -4.807 local terms energy: -727.342546 where: bonds (distance) C4'-P energy: -130.259 bonds (distance) P-C4' energy: -155.168 flat angles C4'-P-C4' energy: -147.208 flat angles P-C4'-P energy: -106.881 tors. eta vs tors. theta energy: -187.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -2209.116220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.116220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.116220 (E_RNA) where: Base-Base interactions energy: -1497.460 where: short stacking energy: -623.872 Base-Backbone interact. energy: -0.442 local terms energy: -711.214055 where: bonds (distance) C4'-P energy: -134.096 bonds (distance) P-C4' energy: -157.773 flat angles C4'-P-C4' energy: -146.452 flat angles P-C4'-P energy: -122.746 tors. eta vs tors. theta energy: -150.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -2004.452339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.452339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.452339 (E_RNA) where: Base-Base interactions energy: -1338.450 where: short stacking energy: -588.913 Base-Backbone interact. energy: -2.474 local terms energy: -663.528391 where: bonds (distance) C4'-P energy: -142.686 bonds (distance) P-C4' energy: -143.919 flat angles C4'-P-C4' energy: -130.904 flat angles P-C4'-P energy: -97.785 tors. eta vs tors. theta energy: -148.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1896.308955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.308955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.308955 (E_RNA) where: Base-Base interactions energy: -1262.251 where: short stacking energy: -565.349 Base-Backbone interact. energy: 3.535 local terms energy: -637.592656 where: bonds (distance) C4'-P energy: -130.044 bonds (distance) P-C4' energy: -165.595 flat angles C4'-P-C4' energy: -122.502 flat angles P-C4'-P energy: -87.996 tors. eta vs tors. theta energy: -131.455 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: 255 Temperature: 1.300000 Total energy: -1432.123093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.123093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.123093 (E_RNA) where: Base-Base interactions energy: -916.212 where: short stacking energy: -454.768 Base-Backbone interact. energy: -2.904 local terms energy: -513.007313 where: bonds (distance) C4'-P energy: -119.478 bonds (distance) P-C4' energy: -121.290 flat angles C4'-P-C4' energy: -126.576 flat angles P-C4'-P energy: -69.669 tors. eta vs tors. theta energy: -75.995 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: 10 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -914.496539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.496539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.496539 (E_RNA) where: Base-Base interactions energy: -481.838 where: short stacking energy: -266.150 Base-Backbone interact. energy: -0.250 local terms energy: -432.408228 where: bonds (distance) C4'-P energy: -125.107 bonds (distance) P-C4' energy: -128.943 flat angles C4'-P-C4' energy: -123.145 flat angles P-C4'-P energy: -45.138 tors. eta vs tors. theta energy: -10.075 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: 256 Temperature: 0.900000 Total energy: -3057.111186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.111186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.111186 (E_RNA) where: Base-Base interactions energy: -2193.426 where: short stacking energy: -877.953 Base-Backbone interact. energy: -4.616 local terms energy: -859.068860 where: bonds (distance) C4'-P energy: -152.732 bonds (distance) P-C4' energy: -160.243 flat angles C4'-P-C4' energy: -182.622 flat angles P-C4'-P energy: -126.331 tors. eta vs tors. theta energy: -237.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2843.897946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.897946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.897946 (E_RNA) where: Base-Base interactions energy: -1975.667 where: short stacking energy: -834.466 Base-Backbone interact. energy: -1.925 local terms energy: -866.306232 where: bonds (distance) C4'-P energy: -146.890 bonds (distance) P-C4' energy: -176.450 flat angles C4'-P-C4' energy: -169.625 flat angles P-C4'-P energy: -133.112 tors. eta vs tors. theta energy: -240.230 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: 1 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2729.822595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.822595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.822595 (E_RNA) where: Base-Base interactions energy: -1860.449 where: short stacking energy: -770.454 Base-Backbone interact. energy: -5.015 local terms energy: -864.358059 where: bonds (distance) C4'-P energy: -160.388 bonds (distance) P-C4' energy: -172.095 flat angles C4'-P-C4' energy: -179.083 flat angles P-C4'-P energy: -132.618 tors. eta vs tors. theta energy: -220.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2495.635978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.635978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.635978 (E_RNA) where: Base-Base interactions energy: -1714.640 where: short stacking energy: -717.437 Base-Backbone interact. energy: -2.244 local terms energy: -778.752334 where: bonds (distance) C4'-P energy: -147.454 bonds (distance) P-C4' energy: -175.247 flat angles C4'-P-C4' energy: -167.889 flat angles P-C4'-P energy: -107.841 tors. eta vs tors. theta energy: -180.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2449.056137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.056137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.056137 (E_RNA) where: Base-Base interactions energy: -1686.251 where: short stacking energy: -710.779 Base-Backbone interact. energy: -4.273 local terms energy: -758.532729 where: bonds (distance) C4'-P energy: -130.212 bonds (distance) P-C4' energy: -156.269 flat angles C4'-P-C4' energy: -172.488 flat angles P-C4'-P energy: -108.481 tors. eta vs tors. theta energy: -191.083 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: 8 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -2173.761242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.761242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.761242 (E_RNA) where: Base-Base interactions energy: -1526.791 where: short stacking energy: -634.872 Base-Backbone interact. energy: -1.531 local terms energy: -645.439226 where: bonds (distance) C4'-P energy: -128.574 bonds (distance) P-C4' energy: -138.148 flat angles C4'-P-C4' energy: -149.260 flat angles P-C4'-P energy: -88.637 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: 7, replica: 6 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -2009.612032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.612032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.612032 (E_RNA) where: Base-Base interactions energy: -1337.873 where: short stacking energy: -558.839 Base-Backbone interact. energy: 4.064 local terms energy: -675.802816 where: bonds (distance) C4'-P energy: -137.697 bonds (distance) P-C4' energy: -147.756 flat angles C4'-P-C4' energy: -160.694 flat angles P-C4'-P energy: -103.187 tors. eta vs tors. theta energy: -126.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1866.513955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.513955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.513955 (E_RNA) where: Base-Base interactions energy: -1263.391 where: short stacking energy: -553.427 Base-Backbone interact. energy: -1.874 local terms energy: -601.249436 where: bonds (distance) C4'-P energy: -121.545 bonds (distance) P-C4' energy: -147.645 flat angles C4'-P-C4' energy: -128.908 flat angles P-C4'-P energy: -77.259 tors. eta vs tors. theta energy: -125.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1410.809940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.809940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.809940 (E_RNA) where: Base-Base interactions energy: -859.051 where: short stacking energy: -405.396 Base-Backbone interact. energy: -4.890 local terms energy: -546.869171 where: bonds (distance) C4'-P energy: -141.862 bonds (distance) P-C4' energy: -123.499 flat angles C4'-P-C4' energy: -130.780 flat angles P-C4'-P energy: -80.977 tors. eta vs tors. theta energy: -69.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -851.455671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.455671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.455671 (E_RNA) where: Base-Base interactions energy: -459.282 where: short stacking energy: -236.325 Base-Backbone interact. energy: -2.594 local terms energy: -389.579939 where: bonds (distance) C4'-P energy: -123.415 bonds (distance) P-C4' energy: -117.766 flat angles C4'-P-C4' energy: -127.209 flat angles P-C4'-P energy: -50.004 tors. eta vs tors. theta energy: 28.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -3071.349731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.349731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.349731 (E_RNA) where: Base-Base interactions energy: -2191.037 where: short stacking energy: -877.561 Base-Backbone interact. energy: -3.492 local terms energy: -876.820759 where: bonds (distance) C4'-P energy: -163.249 bonds (distance) P-C4' energy: -164.062 flat angles C4'-P-C4' energy: -187.997 flat angles P-C4'-P energy: -123.851 tors. eta vs tors. theta energy: -237.661 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: 5 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2844.948572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.948572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.948572 (E_RNA) where: Base-Base interactions energy: -1971.209 where: short stacking energy: -848.862 Base-Backbone interact. energy: 1.408 local terms energy: -875.147771 where: bonds (distance) C4'-P energy: -166.339 bonds (distance) P-C4' energy: -166.172 flat angles C4'-P-C4' energy: -172.172 flat angles P-C4'-P energy: -123.551 tors. eta vs tors. theta energy: -246.914 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: 3, replica: 1 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2737.998887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.998887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.998887 (E_RNA) where: Base-Base interactions energy: -1937.808 where: short stacking energy: -802.910 Base-Backbone interact. energy: -4.896 local terms energy: -795.295289 where: bonds (distance) C4'-P energy: -137.564 bonds (distance) P-C4' energy: -158.148 flat angles C4'-P-C4' energy: -170.908 flat angles P-C4'-P energy: -114.897 tors. eta vs tors. theta energy: -213.778 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: 257 Temperature: 1.050000 Total energy: -2563.571774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.571774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.571774 (E_RNA) where: Base-Base interactions energy: -1770.777 where: short stacking energy: -768.265 Base-Backbone interact. energy: -4.658 local terms energy: -788.135913 where: bonds (distance) C4'-P energy: -146.052 bonds (distance) P-C4' energy: -154.799 flat angles C4'-P-C4' energy: -175.570 flat angles P-C4'-P energy: -99.965 tors. eta vs tors. theta energy: -211.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2464.688967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.688967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.688967 (E_RNA) where: Base-Base interactions energy: -1704.462 where: short stacking energy: -699.890 Base-Backbone interact. energy: -1.036 local terms energy: -759.190536 where: bonds (distance) C4'-P energy: -133.648 bonds (distance) P-C4' energy: -167.482 flat angles C4'-P-C4' energy: -171.821 flat angles P-C4'-P energy: -100.142 tors. eta vs tors. theta energy: -186.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -2172.038601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.038601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.038601 (E_RNA) where: Base-Base interactions energy: -1498.353 where: short stacking energy: -636.521 Base-Backbone interact. energy: 2.085 local terms energy: -675.770842 where: bonds (distance) C4'-P energy: -129.328 bonds (distance) P-C4' energy: -139.858 flat angles C4'-P-C4' energy: -143.812 flat angles P-C4'-P energy: -94.257 tors. eta vs tors. theta energy: -168.516 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: 257 Temperature: 1.200000 Total energy: -2008.667561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.667561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.667561 (E_RNA) where: Base-Base interactions energy: -1372.100 where: short stacking energy: -622.045 Base-Backbone interact. energy: 1.490 local terms energy: -638.057620 where: bonds (distance) C4'-P energy: -119.574 bonds (distance) P-C4' energy: -128.023 flat angles C4'-P-C4' energy: -144.879 flat angles P-C4'-P energy: -101.197 tors. eta vs tors. theta energy: -144.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1855.678852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.678852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.678852 (E_RNA) where: Base-Base interactions energy: -1258.534 where: short stacking energy: -552.551 Base-Backbone interact. energy: -0.650 local terms energy: -596.494805 where: bonds (distance) C4'-P energy: -110.497 bonds (distance) P-C4' energy: -146.393 flat angles C4'-P-C4' energy: -152.427 flat angles P-C4'-P energy: -90.892 tors. eta vs tors. theta energy: -96.286 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: 257 Temperature: 1.300000 Total energy: -1357.185172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.185172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.185172 (E_RNA) where: Base-Base interactions energy: -815.937 where: short stacking energy: -392.965 Base-Backbone interact. energy: -3.918 local terms energy: -537.330226 where: bonds (distance) C4'-P energy: -129.033 bonds (distance) P-C4' energy: -150.072 flat angles C4'-P-C4' energy: -113.315 flat angles P-C4'-P energy: -93.460 tors. eta vs tors. theta energy: -51.450 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: 10 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -950.123910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.123910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.123910 (E_RNA) where: Base-Base interactions energy: -518.148 where: short stacking energy: -288.171 Base-Backbone interact. energy: 1.875 local terms energy: -433.850245 where: bonds (distance) C4'-P energy: -105.879 bonds (distance) P-C4' energy: -136.195 flat angles C4'-P-C4' energy: -122.508 flat angles P-C4'-P energy: -81.027 tors. eta vs tors. theta energy: 11.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -3066.093255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.093255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.093255 (E_RNA) where: Base-Base interactions energy: -2181.205 where: short stacking energy: -886.082 Base-Backbone interact. energy: -6.387 local terms energy: -878.501315 where: bonds (distance) C4'-P energy: -156.627 bonds (distance) P-C4' energy: -170.567 flat angles C4'-P-C4' energy: -187.335 flat angles P-C4'-P energy: -131.584 tors. eta vs tors. theta energy: -232.388 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: 2, replica: 5 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2811.762745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.762745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.762745 (E_RNA) where: Base-Base interactions energy: -1956.827 where: short stacking energy: -794.906 Base-Backbone interact. energy: -2.869 local terms energy: -852.066585 where: bonds (distance) C4'-P energy: -149.621 bonds (distance) P-C4' energy: -184.879 flat angles C4'-P-C4' energy: -182.715 flat angles P-C4'-P energy: -115.066 tors. eta vs tors. theta energy: -219.785 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: 1 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2721.653519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.653519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.653519 (E_RNA) where: Base-Base interactions energy: -1895.915 where: short stacking energy: -783.747 Base-Backbone interact. energy: -5.336 local terms energy: -820.402349 where: bonds (distance) C4'-P energy: -145.828 bonds (distance) P-C4' energy: -162.625 flat angles C4'-P-C4' energy: -185.595 flat angles P-C4'-P energy: -109.700 tors. eta vs tors. theta energy: -216.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2558.630293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.630293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.630293 (E_RNA) where: Base-Base interactions energy: -1784.641 where: short stacking energy: -744.754 Base-Backbone interact. energy: -2.276 local terms energy: -771.713462 where: bonds (distance) C4'-P energy: -141.275 bonds (distance) P-C4' energy: -152.947 flat angles C4'-P-C4' energy: -175.108 flat angles P-C4'-P energy: -110.684 tors. eta vs tors. theta energy: -191.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2504.647484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.647484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.647484 (E_RNA) where: Base-Base interactions energy: -1754.452 where: short stacking energy: -717.668 Base-Backbone interact. energy: -1.672 local terms energy: -748.524147 where: bonds (distance) C4'-P energy: -138.442 bonds (distance) P-C4' energy: -141.570 flat angles C4'-P-C4' energy: -166.838 flat angles P-C4'-P energy: -103.053 tors. eta vs tors. theta energy: -198.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -2223.936623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.936623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.936623 (E_RNA) where: Base-Base interactions energy: -1512.778 where: short stacking energy: -627.011 Base-Backbone interact. energy: -2.670 local terms energy: -708.489241 where: bonds (distance) C4'-P energy: -151.736 bonds (distance) P-C4' energy: -157.083 flat angles C4'-P-C4' energy: -151.507 flat angles P-C4'-P energy: -85.168 tors. eta vs tors. theta energy: -162.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1961.413105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.413105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.413105 (E_RNA) where: Base-Base interactions energy: -1294.385 where: short stacking energy: -555.998 Base-Backbone interact. energy: -0.358 local terms energy: -666.670467 where: bonds (distance) C4'-P energy: -142.934 bonds (distance) P-C4' energy: -147.608 flat angles C4'-P-C4' energy: -153.639 flat angles P-C4'-P energy: -101.169 tors. eta vs tors. theta energy: -121.320 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: 8, replica: 2 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1805.716223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.716223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.716223 (E_RNA) where: Base-Base interactions energy: -1195.721 where: short stacking energy: -536.682 Base-Backbone interact. energy: -1.492 local terms energy: -608.503003 where: bonds (distance) C4'-P energy: -131.507 bonds (distance) P-C4' energy: -131.761 flat angles C4'-P-C4' energy: -143.411 flat angles P-C4'-P energy: -90.923 tors. eta vs tors. theta energy: -110.902 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: 9, replica: 9 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1397.992317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.992317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.992317 (E_RNA) where: Base-Base interactions energy: -852.457 where: short stacking energy: -385.955 Base-Backbone interact. energy: -0.826 local terms energy: -544.709453 where: bonds (distance) C4'-P energy: -138.514 bonds (distance) P-C4' energy: -145.994 flat angles C4'-P-C4' energy: -140.350 flat angles P-C4'-P energy: -69.790 tors. eta vs tors. theta energy: -50.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -947.489093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.489093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.489093 (E_RNA) where: Base-Base interactions energy: -499.319 where: short stacking energy: -278.716 Base-Backbone interact. energy: -3.889 local terms energy: -444.280817 where: bonds (distance) C4'-P energy: -131.206 bonds (distance) P-C4' energy: -142.719 flat angles C4'-P-C4' energy: -121.987 flat angles P-C4'-P energy: -55.300 tors. eta vs tors. theta energy: 6.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -3068.900210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.900210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.900210 (E_RNA) where: Base-Base interactions energy: -2166.318 where: short stacking energy: -863.340 Base-Backbone interact. energy: -1.761 local terms energy: -900.821607 where: bonds (distance) C4'-P energy: -160.435 bonds (distance) P-C4' energy: -169.560 flat angles C4'-P-C4' energy: -192.140 flat angles P-C4'-P energy: -132.343 tors. eta vs tors. theta energy: -246.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2811.174706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.174706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.174706 (E_RNA) where: Base-Base interactions energy: -1978.382 where: short stacking energy: -828.994 Base-Backbone interact. energy: -3.383 local terms energy: -829.409100 where: bonds (distance) C4'-P energy: -139.737 bonds (distance) P-C4' energy: -154.447 flat angles C4'-P-C4' energy: -179.755 flat angles P-C4'-P energy: -121.785 tors. eta vs tors. theta energy: -233.685 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: 1 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2707.671993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.671993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.671993 (E_RNA) where: Base-Base interactions energy: -1902.607 where: short stacking energy: -780.171 Base-Backbone interact. energy: -3.476 local terms energy: -801.588998 where: bonds (distance) C4'-P energy: -153.406 bonds (distance) P-C4' energy: -138.927 flat angles C4'-P-C4' energy: -183.640 flat angles P-C4'-P energy: -116.216 tors. eta vs tors. theta energy: -209.400 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: 4 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2561.545051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.545051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.545051 (E_RNA) where: Base-Base interactions energy: -1757.006 where: short stacking energy: -732.096 Base-Backbone interact. energy: -3.534 local terms energy: -801.005475 where: bonds (distance) C4'-P energy: -147.463 bonds (distance) P-C4' energy: -164.409 flat angles C4'-P-C4' energy: -181.953 flat angles P-C4'-P energy: -107.565 tors. eta vs tors. theta energy: -199.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2463.379091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.379091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.379091 (E_RNA) where: Base-Base interactions energy: -1715.825 where: short stacking energy: -707.343 Base-Backbone interact. energy: -5.199 local terms energy: -742.355501 where: bonds (distance) C4'-P energy: -144.050 bonds (distance) P-C4' energy: -146.163 flat angles C4'-P-C4' energy: -167.638 flat angles P-C4'-P energy: -98.550 tors. eta vs tors. theta energy: -185.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -2172.636337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.636337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.636337 (E_RNA) where: Base-Base interactions energy: -1470.532 where: short stacking energy: -634.829 Base-Backbone interact. energy: -0.460 local terms energy: -701.644095 where: bonds (distance) C4'-P energy: -129.887 bonds (distance) P-C4' energy: -164.277 flat angles C4'-P-C4' energy: -148.506 flat angles P-C4'-P energy: -103.621 tors. eta vs tors. theta energy: -155.353 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: 259 Temperature: 1.200000 Total energy: -1974.840928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.840928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.840928 (E_RNA) where: Base-Base interactions energy: -1291.494 where: short stacking energy: -572.108 Base-Backbone interact. energy: 2.091 local terms energy: -685.437838 where: bonds (distance) C4'-P energy: -150.452 bonds (distance) P-C4' energy: -148.518 flat angles C4'-P-C4' energy: -136.549 flat angles P-C4'-P energy: -108.082 tors. eta vs tors. theta energy: -141.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1687.543060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.543060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.543060 (E_RNA) where: Base-Base interactions energy: -1092.598 where: short stacking energy: -492.134 Base-Backbone interact. energy: -3.196 local terms energy: -591.749615 where: bonds (distance) C4'-P energy: -135.565 bonds (distance) P-C4' energy: -144.707 flat angles C4'-P-C4' energy: -131.324 flat angles P-C4'-P energy: -83.843 tors. eta vs tors. theta energy: -96.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1379.713422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.713422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.713422 (E_RNA) where: Base-Base interactions energy: -874.509 where: short stacking energy: -401.203 Base-Backbone interact. energy: -2.300 local terms energy: -502.903935 where: bonds (distance) C4'-P energy: -130.449 bonds (distance) P-C4' energy: -137.580 flat angles C4'-P-C4' energy: -102.430 flat angles P-C4'-P energy: -82.678 tors. eta vs tors. theta energy: -49.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -932.568690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.568690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.568690 (E_RNA) where: Base-Base interactions energy: -477.904 where: short stacking energy: -252.834 Base-Backbone interact. energy: 7.400 local terms energy: -462.064955 where: bonds (distance) C4'-P energy: -127.393 bonds (distance) P-C4' energy: -152.615 flat angles C4'-P-C4' energy: -119.017 flat angles P-C4'-P energy: -71.952 tors. eta vs tors. theta energy: 8.913 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: 3 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -3032.369289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.369289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.369289 (E_RNA) where: Base-Base interactions energy: -2158.464 where: short stacking energy: -867.180 Base-Backbone interact. energy: -2.864 local terms energy: -871.041706 where: bonds (distance) C4'-P energy: -152.611 bonds (distance) P-C4' energy: -176.165 flat angles C4'-P-C4' energy: -179.605 flat angles P-C4'-P energy: -127.547 tors. eta vs tors. theta energy: -235.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2824.949229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.949229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.949229 (E_RNA) where: Base-Base interactions energy: -1985.637 where: short stacking energy: -831.036 Base-Backbone interact. energy: -2.190 local terms energy: -837.122798 where: bonds (distance) C4'-P energy: -144.391 bonds (distance) P-C4' energy: -159.756 flat angles C4'-P-C4' energy: -191.194 flat angles P-C4'-P energy: -119.427 tors. eta vs tors. theta energy: -222.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2713.137446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.137446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.137446 (E_RNA) where: Base-Base interactions energy: -1874.926 where: short stacking energy: -788.835 Base-Backbone interact. energy: -3.152 local terms energy: -835.060083 where: bonds (distance) C4'-P energy: -145.728 bonds (distance) P-C4' energy: -161.875 flat angles C4'-P-C4' energy: -179.296 flat angles P-C4'-P energy: -123.149 tors. eta vs tors. theta energy: -225.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2500.930518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.930518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.930518 (E_RNA) where: Base-Base interactions energy: -1766.484 where: short stacking energy: -727.064 Base-Backbone interact. energy: -4.233 local terms energy: -730.213362 where: bonds (distance) C4'-P energy: -118.477 bonds (distance) P-C4' energy: -163.545 flat angles C4'-P-C4' energy: -160.315 flat angles P-C4'-P energy: -95.464 tors. eta vs tors. theta energy: -192.413 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: 7 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2488.144834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.144834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.144834 (E_RNA) where: Base-Base interactions energy: -1736.950 where: short stacking energy: -727.196 Base-Backbone interact. energy: -4.595 local terms energy: -746.600125 where: bonds (distance) C4'-P energy: -120.943 bonds (distance) P-C4' energy: -158.711 flat angles C4'-P-C4' energy: -165.853 flat angles P-C4'-P energy: -108.944 tors. eta vs tors. theta energy: -192.149 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: 8 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -2165.878225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.878225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.878225 (E_RNA) where: Base-Base interactions energy: -1461.630 where: short stacking energy: -618.309 Base-Backbone interact. energy: -1.578 local terms energy: -702.670285 where: bonds (distance) C4'-P energy: -134.861 bonds (distance) P-C4' energy: -157.597 flat angles C4'-P-C4' energy: -146.904 flat angles P-C4'-P energy: -111.323 tors. eta vs tors. theta energy: -151.985 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: 6 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1960.130676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.130676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.130676 (E_RNA) where: Base-Base interactions energy: -1316.278 where: short stacking energy: -580.045 Base-Backbone interact. energy: -3.927 local terms energy: -639.925917 where: bonds (distance) C4'-P energy: -131.127 bonds (distance) P-C4' energy: -156.278 flat angles C4'-P-C4' energy: -147.992 flat angles P-C4'-P energy: -83.662 tors. eta vs tors. theta energy: -120.867 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: 260 Temperature: 1.250000 Total energy: -1702.299088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.299088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.299088 (E_RNA) where: Base-Base interactions energy: -1132.682 where: short stacking energy: -496.845 Base-Backbone interact. energy: -2.619 local terms energy: -566.997807 where: bonds (distance) C4'-P energy: -113.006 bonds (distance) P-C4' energy: -150.158 flat angles C4'-P-C4' energy: -117.736 flat angles P-C4'-P energy: -81.930 tors. eta vs tors. theta energy: -104.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1363.505894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.505894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.505894 (E_RNA) where: Base-Base interactions energy: -816.246 where: short stacking energy: -373.244 Base-Backbone interact. energy: 0.739 local terms energy: -547.998642 where: bonds (distance) C4'-P energy: -122.327 bonds (distance) P-C4' energy: -147.745 flat angles C4'-P-C4' energy: -142.060 flat angles P-C4'-P energy: -79.216 tors. eta vs tors. theta energy: -56.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -911.541802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.541802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.541802 (E_RNA) where: Base-Base interactions energy: -475.519 where: short stacking energy: -252.197 Base-Backbone interact. energy: -1.196 local terms energy: -434.826415 where: bonds (distance) C4'-P energy: -123.367 bonds (distance) P-C4' energy: -135.312 flat angles C4'-P-C4' energy: -117.427 flat angles P-C4'-P energy: -63.422 tors. eta vs tors. theta energy: 4.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -3072.891550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.891550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.891550 (E_RNA) where: Base-Base interactions energy: -2176.117 where: short stacking energy: -865.266 Base-Backbone interact. energy: -4.825 local terms energy: -891.949511 where: bonds (distance) C4'-P energy: -164.776 bonds (distance) P-C4' energy: -171.461 flat angles C4'-P-C4' energy: -185.549 flat angles P-C4'-P energy: -137.539 tors. eta vs tors. theta energy: -232.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2787.290173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.290173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.290173 (E_RNA) where: Base-Base interactions energy: -1932.027 where: short stacking energy: -831.940 Base-Backbone interact. energy: 3.719 local terms energy: -858.982223 where: bonds (distance) C4'-P energy: -141.937 bonds (distance) P-C4' energy: -171.720 flat angles C4'-P-C4' energy: -197.748 flat angles P-C4'-P energy: -115.903 tors. eta vs tors. theta energy: -231.674 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: 3, replica: 5 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2737.062476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.062476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.062476 (E_RNA) where: Base-Base interactions energy: -1903.209 where: short stacking energy: -814.590 Base-Backbone interact. energy: -3.529 local terms energy: -830.323881 where: bonds (distance) C4'-P energy: -147.654 bonds (distance) P-C4' energy: -170.282 flat angles C4'-P-C4' energy: -176.307 flat angles P-C4'-P energy: -108.580 tors. eta vs tors. theta energy: -227.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2576.150023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.150023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.150023 (E_RNA) where: Base-Base interactions energy: -1768.434 where: short stacking energy: -743.141 Base-Backbone interact. energy: -5.396 local terms energy: -802.320381 where: bonds (distance) C4'-P energy: -157.003 bonds (distance) P-C4' energy: -148.832 flat angles C4'-P-C4' energy: -182.056 flat angles P-C4'-P energy: -112.516 tors. eta vs tors. theta energy: -201.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2482.241089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.241089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.241089 (E_RNA) where: Base-Base interactions energy: -1728.096 where: short stacking energy: -718.190 Base-Backbone interact. energy: -4.058 local terms energy: -750.086701 where: bonds (distance) C4'-P energy: -143.238 bonds (distance) P-C4' energy: -131.085 flat angles C4'-P-C4' energy: -150.986 flat angles P-C4'-P energy: -119.567 tors. eta vs tors. theta energy: -205.210 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: 6, replica: 8 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -2177.871315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.871315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.871315 (E_RNA) where: Base-Base interactions energy: -1463.916 where: short stacking energy: -624.488 Base-Backbone interact. energy: -1.432 local terms energy: -712.523614 where: bonds (distance) C4'-P energy: -135.747 bonds (distance) P-C4' energy: -168.015 flat angles C4'-P-C4' energy: -157.973 flat angles P-C4'-P energy: -97.073 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: 7, replica: 6 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -2016.032370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.032370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.032370 (E_RNA) where: Base-Base interactions energy: -1354.445 where: short stacking energy: -571.116 Base-Backbone interact. energy: -1.959 local terms energy: -659.628879 where: bonds (distance) C4'-P energy: -133.210 bonds (distance) P-C4' energy: -157.689 flat angles C4'-P-C4' energy: -143.783 flat angles P-C4'-P energy: -96.288 tors. eta vs tors. theta energy: -128.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1665.778985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.778985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.778985 (E_RNA) where: Base-Base interactions energy: -1093.994 where: short stacking energy: -469.121 Base-Backbone interact. energy: -4.420 local terms energy: -567.365270 where: bonds (distance) C4'-P energy: -119.279 bonds (distance) P-C4' energy: -137.134 flat angles C4'-P-C4' energy: -134.521 flat angles P-C4'-P energy: -83.860 tors. eta vs tors. theta energy: -92.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1293.790648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.790648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.790648 (E_RNA) where: Base-Base interactions energy: -789.950 where: short stacking energy: -338.511 Base-Backbone interact. energy: 2.194 local terms energy: -506.034439 where: bonds (distance) C4'-P energy: -108.362 bonds (distance) P-C4' energy: -141.972 flat angles C4'-P-C4' energy: -123.051 flat angles P-C4'-P energy: -81.811 tors. eta vs tors. theta energy: -50.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -972.136171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.136171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.136171 (E_RNA) where: Base-Base interactions energy: -496.615 where: short stacking energy: -279.401 Base-Backbone interact. energy: 4.494 local terms energy: -480.014620 where: bonds (distance) C4'-P energy: -122.893 bonds (distance) P-C4' energy: -146.032 flat angles C4'-P-C4' energy: -111.848 flat angles P-C4'-P energy: -86.553 tors. eta vs tors. theta energy: -12.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -3020.115592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.115592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.115592 (E_RNA) where: Base-Base interactions energy: -2159.995 where: short stacking energy: -852.336 Base-Backbone interact. energy: -4.810 local terms energy: -855.310006 where: bonds (distance) C4'-P energy: -157.990 bonds (distance) P-C4' energy: -163.955 flat angles C4'-P-C4' energy: -180.932 flat angles P-C4'-P energy: -123.108 tors. eta vs tors. theta energy: -229.326 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: 1 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2824.831084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.831084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.831084 (E_RNA) where: Base-Base interactions energy: -1957.202 where: short stacking energy: -822.056 Base-Backbone interact. energy: -5.387 local terms energy: -862.242593 where: bonds (distance) C4'-P energy: -158.504 bonds (distance) P-C4' energy: -173.231 flat angles C4'-P-C4' energy: -178.158 flat angles P-C4'-P energy: -120.859 tors. eta vs tors. theta energy: -231.491 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: 3, replica: 5 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2716.582565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.582565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.582565 (E_RNA) where: Base-Base interactions energy: -1865.039 where: short stacking energy: -776.561 Base-Backbone interact. energy: -7.573 local terms energy: -843.970613 where: bonds (distance) C4'-P energy: -148.259 bonds (distance) P-C4' energy: -180.535 flat angles C4'-P-C4' energy: -171.401 flat angles P-C4'-P energy: -124.243 tors. eta vs tors. theta energy: -219.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2546.422892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.422892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.422892 (E_RNA) where: Base-Base interactions energy: -1757.060 where: short stacking energy: -732.321 Base-Backbone interact. energy: -3.274 local terms energy: -786.089750 where: bonds (distance) C4'-P energy: -156.864 bonds (distance) P-C4' energy: -161.639 flat angles C4'-P-C4' energy: -167.117 flat angles P-C4'-P energy: -113.547 tors. eta vs tors. theta energy: -186.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2498.487012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.487012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.487012 (E_RNA) where: Base-Base interactions energy: -1737.210 where: short stacking energy: -714.868 Base-Backbone interact. energy: 1.466 local terms energy: -762.743254 where: bonds (distance) C4'-P energy: -149.245 bonds (distance) P-C4' energy: -151.726 flat angles C4'-P-C4' energy: -171.942 flat angles P-C4'-P energy: -100.872 tors. eta vs tors. theta energy: -188.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -2158.411511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.411511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.411511 (E_RNA) where: Base-Base interactions energy: -1434.827 where: short stacking energy: -602.819 Base-Backbone interact. energy: -5.158 local terms energy: -718.425893 where: bonds (distance) C4'-P energy: -142.032 bonds (distance) P-C4' energy: -149.535 flat angles C4'-P-C4' energy: -171.554 flat angles P-C4'-P energy: -102.532 tors. eta vs tors. theta energy: -152.773 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: 262 Temperature: 1.200000 Total energy: -2021.577519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.577519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.577519 (E_RNA) where: Base-Base interactions energy: -1369.101 where: short stacking energy: -581.277 Base-Backbone interact. energy: -0.860 local terms energy: -651.616688 where: bonds (distance) C4'-P energy: -121.866 bonds (distance) P-C4' energy: -146.319 flat angles C4'-P-C4' energy: -145.942 flat angles P-C4'-P energy: -94.960 tors. eta vs tors. theta energy: -142.530 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: 8, replica: 2 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1667.263793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.263793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.263793 (E_RNA) where: Base-Base interactions energy: -1054.307 where: short stacking energy: -464.598 Base-Backbone interact. energy: -3.373 local terms energy: -609.583655 where: bonds (distance) C4'-P energy: -156.349 bonds (distance) P-C4' energy: -145.870 flat angles C4'-P-C4' energy: -132.280 flat angles P-C4'-P energy: -83.632 tors. eta vs tors. theta energy: -91.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1406.253902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.253902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.253902 (E_RNA) where: Base-Base interactions energy: -827.763 where: short stacking energy: -403.224 Base-Backbone interact. energy: -3.907 local terms energy: -574.583366 where: bonds (distance) C4'-P energy: -149.250 bonds (distance) P-C4' energy: -137.893 flat angles C4'-P-C4' energy: -130.692 flat angles P-C4'-P energy: -83.444 tors. eta vs tors. theta energy: -73.304 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: 10, replica: 10 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -944.490531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.490531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.490531 (E_RNA) where: Base-Base interactions energy: -484.377 where: short stacking energy: -270.271 Base-Backbone interact. energy: 0.845 local terms energy: -460.958826 where: bonds (distance) C4'-P energy: -128.227 bonds (distance) P-C4' energy: -143.529 flat angles C4'-P-C4' energy: -129.228 flat angles P-C4'-P energy: -63.959 tors. eta vs tors. theta energy: 3.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -3026.258875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.258875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.258875 (E_RNA) where: Base-Base interactions energy: -2157.613 where: short stacking energy: -848.828 Base-Backbone interact. energy: -2.522 local terms energy: -866.123882 where: bonds (distance) C4'-P energy: -159.595 bonds (distance) P-C4' energy: -163.806 flat angles C4'-P-C4' energy: -180.202 flat angles P-C4'-P energy: -122.831 tors. eta vs tors. theta energy: -239.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2798.143076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.143076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.143076 (E_RNA) where: Base-Base interactions energy: -1921.982 where: short stacking energy: -816.702 Base-Backbone interact. energy: -2.823 local terms energy: -873.337488 where: bonds (distance) C4'-P energy: -164.570 bonds (distance) P-C4' energy: -171.177 flat angles C4'-P-C4' energy: -172.753 flat angles P-C4'-P energy: -126.903 tors. eta vs tors. theta energy: -237.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2702.611701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.611701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.611701 (E_RNA) where: Base-Base interactions energy: -1878.844 where: short stacking energy: -774.610 Base-Backbone interact. energy: -3.335 local terms energy: -820.432557 where: bonds (distance) C4'-P energy: -148.596 bonds (distance) P-C4' energy: -163.320 flat angles C4'-P-C4' energy: -174.505 flat angles P-C4'-P energy: -111.198 tors. eta vs tors. theta energy: -222.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2547.390963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.390963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.390963 (E_RNA) where: Base-Base interactions energy: -1756.572 where: short stacking energy: -730.367 Base-Backbone interact. energy: -6.082 local terms energy: -784.737177 where: bonds (distance) C4'-P energy: -136.293 bonds (distance) P-C4' energy: -169.962 flat angles C4'-P-C4' energy: -173.930 flat angles P-C4'-P energy: -105.139 tors. eta vs tors. theta energy: -199.413 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: 7 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2523.707377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.707377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.707377 (E_RNA) where: Base-Base interactions energy: -1762.204 where: short stacking energy: -737.829 Base-Backbone interact. energy: -2.084 local terms energy: -759.420189 where: bonds (distance) C4'-P energy: -145.977 bonds (distance) P-C4' energy: -156.703 flat angles C4'-P-C4' energy: -166.152 flat angles P-C4'-P energy: -96.417 tors. eta vs tors. theta energy: -194.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -2043.203260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.203260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.203260 (E_RNA) where: Base-Base interactions energy: -1323.873 where: short stacking energy: -576.096 Base-Backbone interact. energy: -1.980 local terms energy: -717.350900 where: bonds (distance) C4'-P energy: -146.208 bonds (distance) P-C4' energy: -167.112 flat angles C4'-P-C4' energy: -147.113 flat angles P-C4'-P energy: -102.905 tors. eta vs tors. theta energy: -154.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1984.498937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.498937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.498937 (E_RNA) where: Base-Base interactions energy: -1319.149 where: short stacking energy: -573.992 Base-Backbone interact. energy: -0.810 local terms energy: -664.540062 where: bonds (distance) C4'-P energy: -122.257 bonds (distance) P-C4' energy: -148.657 flat angles C4'-P-C4' energy: -160.951 flat angles P-C4'-P energy: -108.147 tors. eta vs tors. theta energy: -124.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1688.170317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.170317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.170317 (E_RNA) where: Base-Base interactions energy: -1081.142 where: short stacking energy: -478.363 Base-Backbone interact. energy: -0.326 local terms energy: -606.703167 where: bonds (distance) C4'-P energy: -149.089 bonds (distance) P-C4' energy: -156.438 flat angles C4'-P-C4' energy: -128.532 flat angles P-C4'-P energy: -74.545 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: 9, replica: 9 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1324.624407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.624407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.624407 (E_RNA) where: Base-Base interactions energy: -810.842 where: short stacking energy: -376.520 Base-Backbone interact. energy: -2.824 local terms energy: -510.958919 where: bonds (distance) C4'-P energy: -128.447 bonds (distance) P-C4' energy: -103.239 flat angles C4'-P-C4' energy: -146.205 flat angles P-C4'-P energy: -83.070 tors. eta vs tors. theta energy: -49.997 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: 10, replica: 10 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -970.816485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.816485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.816485 (E_RNA) where: Base-Base interactions energy: -524.957 where: short stacking energy: -281.653 Base-Backbone interact. energy: 3.901 local terms energy: -449.760155 where: bonds (distance) C4'-P energy: -130.729 bonds (distance) P-C4' energy: -131.213 flat angles C4'-P-C4' energy: -109.234 flat angles P-C4'-P energy: -58.651 tors. eta vs tors. theta energy: -19.933 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: 3 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -3041.515456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.515456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.515456 (E_RNA) where: Base-Base interactions energy: -2133.475 where: short stacking energy: -861.606 Base-Backbone interact. energy: -7.535 local terms energy: -900.505019 where: bonds (distance) C4'-P energy: -147.985 bonds (distance) P-C4' energy: -185.264 flat angles C4'-P-C4' energy: -190.739 flat angles P-C4'-P energy: -136.412 tors. eta vs tors. theta energy: -240.105 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: 2, replica: 1 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2787.104946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.104946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.104946 (E_RNA) where: Base-Base interactions energy: -1946.790 where: short stacking energy: -823.088 Base-Backbone interact. energy: -1.138 local terms energy: -839.176206 where: bonds (distance) C4'-P energy: -149.448 bonds (distance) P-C4' energy: -154.835 flat angles C4'-P-C4' energy: -180.149 flat angles P-C4'-P energy: -122.633 tors. eta vs tors. theta energy: -232.112 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: 5 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2718.636824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.636824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.636824 (E_RNA) where: Base-Base interactions energy: -1883.779 where: short stacking energy: -775.265 Base-Backbone interact. energy: 1.518 local terms energy: -836.375489 where: bonds (distance) C4'-P energy: -157.528 bonds (distance) P-C4' energy: -172.138 flat angles C4'-P-C4' energy: -171.910 flat angles P-C4'-P energy: -121.789 tors. eta vs tors. theta energy: -213.010 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: 264 Temperature: 1.050000 Total energy: -2576.705434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.705434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.705434 (E_RNA) where: Base-Base interactions energy: -1771.932 where: short stacking energy: -729.029 Base-Backbone interact. energy: -0.625 local terms energy: -804.148320 where: bonds (distance) C4'-P energy: -151.409 bonds (distance) P-C4' energy: -160.652 flat angles C4'-P-C4' energy: -179.946 flat angles P-C4'-P energy: -115.431 tors. eta vs tors. theta energy: -196.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2476.453335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.453335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.453335 (E_RNA) where: Base-Base interactions energy: -1715.514 where: short stacking energy: -686.635 Base-Backbone interact. energy: 1.915 local terms energy: -762.854355 where: bonds (distance) C4'-P energy: -156.808 bonds (distance) P-C4' energy: -161.617 flat angles C4'-P-C4' energy: -156.562 flat angles P-C4'-P energy: -95.582 tors. eta vs tors. theta energy: -192.285 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: 6, replica: 6 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -2132.973522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.973522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.973522 (E_RNA) where: Base-Base interactions energy: -1439.990 where: short stacking energy: -663.152 Base-Backbone interact. energy: -1.956 local terms energy: -691.027590 where: bonds (distance) C4'-P energy: -137.178 bonds (distance) P-C4' energy: -155.269 flat angles C4'-P-C4' energy: -142.037 flat angles P-C4'-P energy: -98.590 tors. eta vs tors. theta energy: -157.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1974.953451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.953451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.953451 (E_RNA) where: Base-Base interactions energy: -1317.482 where: short stacking energy: -515.888 Base-Backbone interact. energy: -3.707 local terms energy: -656.939240 where: bonds (distance) C4'-P energy: -139.481 bonds (distance) P-C4' energy: -154.044 flat angles C4'-P-C4' energy: -152.001 flat angles P-C4'-P energy: -89.144 tors. eta vs tors. theta energy: -122.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 3.175 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1660.370416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.370416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.370416 (E_RNA) where: Base-Base interactions energy: -1078.376 where: short stacking energy: -504.376 Base-Backbone interact. energy: -4.670 local terms energy: -577.324335 where: bonds (distance) C4'-P energy: -130.637 bonds (distance) P-C4' energy: -132.996 flat angles C4'-P-C4' energy: -151.243 flat angles P-C4'-P energy: -75.924 tors. eta vs tors. theta energy: -86.526 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: 264 Temperature: 1.300000 Total energy: -1306.388645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.388645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.388645 (E_RNA) where: Base-Base interactions energy: -781.118 where: short stacking energy: -371.607 Base-Backbone interact. energy: 4.545 local terms energy: -529.815088 where: bonds (distance) C4'-P energy: -119.238 bonds (distance) P-C4' energy: -131.540 flat angles C4'-P-C4' energy: -137.792 flat angles P-C4'-P energy: -88.963 tors. eta vs tors. theta energy: -52.281 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: 10, replica: 10 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -922.875103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.875103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.875103 (E_RNA) where: Base-Base interactions energy: -475.777 where: short stacking energy: -238.223 Base-Backbone interact. energy: 13.746 local terms energy: -462.009404 where: bonds (distance) C4'-P energy: -122.662 bonds (distance) P-C4' energy: -148.526 flat angles C4'-P-C4' energy: -116.262 flat angles P-C4'-P energy: -72.793 tors. eta vs tors. theta energy: -1.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.166 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -3046.949306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.949306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.949306 (E_RNA) where: Base-Base interactions energy: -2173.522 where: short stacking energy: -841.381 Base-Backbone interact. energy: -1.039 local terms energy: -872.388339 where: bonds (distance) C4'-P energy: -157.594 bonds (distance) P-C4' energy: -176.159 flat angles C4'-P-C4' energy: -182.933 flat angles P-C4'-P energy: -124.222 tors. eta vs tors. theta energy: -231.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2816.633228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.633228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.633228 (E_RNA) where: Base-Base interactions energy: -1942.628 where: short stacking energy: -811.215 Base-Backbone interact. energy: -3.578 local terms energy: -870.427814 where: bonds (distance) C4'-P energy: -152.756 bonds (distance) P-C4' energy: -165.938 flat angles C4'-P-C4' energy: -172.022 flat angles P-C4'-P energy: -144.360 tors. eta vs tors. theta energy: -235.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2694.231912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.231912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.231912 (E_RNA) where: Base-Base interactions energy: -1857.738 where: short stacking energy: -758.561 Base-Backbone interact. energy: -4.593 local terms energy: -831.900941 where: bonds (distance) C4'-P energy: -156.015 bonds (distance) P-C4' energy: -177.139 flat angles C4'-P-C4' energy: -175.144 flat angles P-C4'-P energy: -118.436 tors. eta vs tors. theta energy: -205.168 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: 4, replica: 4 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2610.966934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.966934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.966934 (E_RNA) where: Base-Base interactions energy: -1805.372 where: short stacking energy: -776.985 Base-Backbone interact. energy: -0.436 local terms energy: -805.159180 where: bonds (distance) C4'-P energy: -147.684 bonds (distance) P-C4' energy: -166.307 flat angles C4'-P-C4' energy: -163.631 flat angles P-C4'-P energy: -114.446 tors. eta vs tors. theta energy: -213.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2536.383405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.383405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.383405 (E_RNA) where: Base-Base interactions energy: -1780.502 where: short stacking energy: -721.801 Base-Backbone interact. energy: -4.625 local terms energy: -751.255965 where: bonds (distance) C4'-P energy: -128.686 bonds (distance) P-C4' energy: -145.591 flat angles C4'-P-C4' energy: -175.590 flat angles P-C4'-P energy: -106.232 tors. eta vs tors. theta energy: -195.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -2138.106267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.106267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.106267 (E_RNA) where: Base-Base interactions energy: -1413.975 where: short stacking energy: -612.512 Base-Backbone interact. energy: 1.214 local terms energy: -725.344668 where: bonds (distance) C4'-P energy: -136.148 bonds (distance) P-C4' energy: -166.756 flat angles C4'-P-C4' energy: -158.619 flat angles P-C4'-P energy: -100.384 tors. eta vs tors. theta energy: -163.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1966.000697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.000697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.000697 (E_RNA) where: Base-Base interactions energy: -1329.254 where: short stacking energy: -545.979 Base-Backbone interact. energy: -0.711 local terms energy: -636.035519 where: bonds (distance) C4'-P energy: -120.008 bonds (distance) P-C4' energy: -163.125 flat angles C4'-P-C4' energy: -139.008 flat angles P-C4'-P energy: -96.625 tors. eta vs tors. theta energy: -117.270 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: 8, replica: 2 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1696.912287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.912287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.912287 (E_RNA) where: Base-Base interactions energy: -1084.987 where: short stacking energy: -479.555 Base-Backbone interact. energy: 5.505 local terms energy: -617.430453 where: bonds (distance) C4'-P energy: -133.082 bonds (distance) P-C4' energy: -135.056 flat angles C4'-P-C4' energy: -154.976 flat angles P-C4'-P energy: -99.060 tors. eta vs tors. theta energy: -95.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1330.939303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.939303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.939303 (E_RNA) where: Base-Base interactions energy: -801.745 where: short stacking energy: -375.419 Base-Backbone interact. energy: 2.465 local terms energy: -531.659710 where: bonds (distance) C4'-P energy: -128.949 bonds (distance) P-C4' energy: -134.833 flat angles C4'-P-C4' energy: -132.984 flat angles P-C4'-P energy: -81.938 tors. eta vs tors. theta energy: -52.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -970.367823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.367823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.367823 (E_RNA) where: Base-Base interactions energy: -519.812 where: short stacking energy: -281.014 Base-Backbone interact. energy: 1.425 local terms energy: -451.980600 where: bonds (distance) C4'-P energy: -118.909 bonds (distance) P-C4' energy: -122.511 flat angles C4'-P-C4' energy: -119.911 flat angles P-C4'-P energy: -67.779 tors. eta vs tors. theta energy: -22.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -3031.556970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.556970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.556970 (E_RNA) where: Base-Base interactions energy: -2148.396 where: short stacking energy: -847.055 Base-Backbone interact. energy: -5.165 local terms energy: -877.995704 where: bonds (distance) C4'-P energy: -167.186 bonds (distance) P-C4' energy: -167.652 flat angles C4'-P-C4' energy: -175.518 flat angles P-C4'-P energy: -127.904 tors. eta vs tors. theta energy: -239.735 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: 2, replica: 1 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2766.495555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.495555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.495555 (E_RNA) where: Base-Base interactions energy: -1912.447 where: short stacking energy: -801.986 Base-Backbone interact. energy: -2.298 local terms energy: -851.750359 where: bonds (distance) C4'-P energy: -152.526 bonds (distance) P-C4' energy: -159.545 flat angles C4'-P-C4' energy: -191.178 flat angles P-C4'-P energy: -120.897 tors. eta vs tors. theta energy: -227.605 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: 3, replica: 5 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2728.126547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.126547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.126547 (E_RNA) where: Base-Base interactions energy: -1902.212 where: short stacking energy: -800.516 Base-Backbone interact. energy: -5.137 local terms energy: -820.777211 where: bonds (distance) C4'-P energy: -158.755 bonds (distance) P-C4' energy: -154.941 flat angles C4'-P-C4' energy: -173.407 flat angles P-C4'-P energy: -114.481 tors. eta vs tors. theta energy: -219.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2593.410719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.410719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.410719 (E_RNA) where: Base-Base interactions energy: -1818.434 where: short stacking energy: -754.323 Base-Backbone interact. energy: -0.096 local terms energy: -774.881408 where: bonds (distance) C4'-P energy: -138.582 bonds (distance) P-C4' energy: -166.239 flat angles C4'-P-C4' energy: -166.892 flat angles P-C4'-P energy: -111.577 tors. eta vs tors. theta energy: -191.590 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: 7 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2529.871679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.871679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.871679 (E_RNA) where: Base-Base interactions energy: -1764.858 where: short stacking energy: -743.726 Base-Backbone interact. energy: -3.040 local terms energy: -761.973388 where: bonds (distance) C4'-P energy: -138.381 bonds (distance) P-C4' energy: -148.408 flat angles C4'-P-C4' energy: -176.384 flat angles P-C4'-P energy: -108.519 tors. eta vs tors. theta energy: -190.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -2083.307666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.307666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.307666 (E_RNA) where: Base-Base interactions energy: -1391.378 where: short stacking energy: -597.904 Base-Backbone interact. energy: -3.854 local terms energy: -688.075936 where: bonds (distance) C4'-P energy: -139.236 bonds (distance) P-C4' energy: -163.332 flat angles C4'-P-C4' energy: -153.182 flat angles P-C4'-P energy: -93.053 tors. eta vs tors. theta energy: -139.274 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: 7, replica: 8 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1982.815287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.815287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.815287 (E_RNA) where: Base-Base interactions energy: -1334.236 where: short stacking energy: -542.575 Base-Backbone interact. energy: -3.968 local terms energy: -644.611425 where: bonds (distance) C4'-P energy: -139.801 bonds (distance) P-C4' energy: -148.168 flat angles C4'-P-C4' energy: -139.110 flat angles P-C4'-P energy: -94.018 tors. eta vs tors. theta energy: -123.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1745.035844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.035844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.035844 (E_RNA) where: Base-Base interactions energy: -1133.114 where: short stacking energy: -491.704 Base-Backbone interact. energy: 1.978 local terms energy: -613.899783 where: bonds (distance) C4'-P energy: -127.539 bonds (distance) P-C4' energy: -158.865 flat angles C4'-P-C4' energy: -154.403 flat angles P-C4'-P energy: -69.856 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: 9, replica: 9 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1428.053226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.053226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.053226 (E_RNA) where: Base-Base interactions energy: -885.808 where: short stacking energy: -379.006 Base-Backbone interact. energy: -1.352 local terms energy: -540.893572 where: bonds (distance) C4'-P energy: -142.320 bonds (distance) P-C4' energy: -136.812 flat angles C4'-P-C4' energy: -127.716 flat angles P-C4'-P energy: -83.438 tors. eta vs tors. theta energy: -50.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -953.827764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.827764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.827764 (E_RNA) where: Base-Base interactions energy: -495.639 where: short stacking energy: -285.812 Base-Backbone interact. energy: -5.222 local terms energy: -452.966831 where: bonds (distance) C4'-P energy: -113.526 bonds (distance) P-C4' energy: -161.188 flat angles C4'-P-C4' energy: -112.411 flat angles P-C4'-P energy: -75.811 tors. eta vs tors. theta energy: 9.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -3029.046584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.046584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.046584 (E_RNA) where: Base-Base interactions energy: -2164.020 where: short stacking energy: -835.320 Base-Backbone interact. energy: 4.267 local terms energy: -869.293176 where: bonds (distance) C4'-P energy: -159.016 bonds (distance) P-C4' energy: -166.738 flat angles C4'-P-C4' energy: -183.569 flat angles P-C4'-P energy: -124.952 tors. eta vs tors. theta energy: -235.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2771.676054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.676054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.676054 (E_RNA) where: Base-Base interactions energy: -1923.329 where: short stacking energy: -829.211 Base-Backbone interact. energy: -0.014 local terms energy: -848.332636 where: bonds (distance) C4'-P energy: -157.200 bonds (distance) P-C4' energy: -165.309 flat angles C4'-P-C4' energy: -175.632 flat angles P-C4'-P energy: -119.882 tors. eta vs tors. theta energy: -230.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2726.861354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.861354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.861354 (E_RNA) where: Base-Base interactions energy: -1896.333 where: short stacking energy: -799.792 Base-Backbone interact. energy: -0.280 local terms energy: -830.249319 where: bonds (distance) C4'-P energy: -148.624 bonds (distance) P-C4' energy: -168.381 flat angles C4'-P-C4' energy: -182.106 flat angles P-C4'-P energy: -112.019 tors. eta vs tors. theta energy: -219.119 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: 4 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2612.398888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.398888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.398888 (E_RNA) where: Base-Base interactions energy: -1827.125 where: short stacking energy: -755.664 Base-Backbone interact. energy: -2.247 local terms energy: -783.027003 where: bonds (distance) C4'-P energy: -144.408 bonds (distance) P-C4' energy: -144.662 flat angles C4'-P-C4' energy: -172.241 flat angles P-C4'-P energy: -118.727 tors. eta vs tors. theta energy: -202.988 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: 5, replica: 7 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2503.624818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.624818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.624818 (E_RNA) where: Base-Base interactions energy: -1759.398 where: short stacking energy: -731.841 Base-Backbone interact. energy: -1.462 local terms energy: -742.764803 where: bonds (distance) C4'-P energy: -123.788 bonds (distance) P-C4' energy: -170.860 flat angles C4'-P-C4' energy: -164.468 flat angles P-C4'-P energy: -96.035 tors. eta vs tors. theta energy: -187.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -2102.257177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.257177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.257177 (E_RNA) where: Base-Base interactions energy: -1443.133 where: short stacking energy: -634.137 Base-Backbone interact. energy: -2.416 local terms energy: -656.708235 where: bonds (distance) C4'-P energy: -127.767 bonds (distance) P-C4' energy: -160.096 flat angles C4'-P-C4' energy: -147.071 flat angles P-C4'-P energy: -78.652 tors. eta vs tors. theta energy: -143.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -2024.414212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.414212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.414212 (E_RNA) where: Base-Base interactions energy: -1362.967 where: short stacking energy: -594.607 Base-Backbone interact. energy: -3.465 local terms energy: -657.982267 where: bonds (distance) C4'-P energy: -142.019 bonds (distance) P-C4' energy: -131.656 flat angles C4'-P-C4' energy: -159.747 flat angles P-C4'-P energy: -69.447 tors. eta vs tors. theta energy: -155.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1731.007126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.007126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.007126 (E_RNA) where: Base-Base interactions energy: -1124.900 where: short stacking energy: -463.698 Base-Backbone interact. energy: -4.165 local terms energy: -601.942368 where: bonds (distance) C4'-P energy: -155.254 bonds (distance) P-C4' energy: -126.680 flat angles C4'-P-C4' energy: -133.000 flat angles P-C4'-P energy: -83.412 tors. eta vs tors. theta energy: -103.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1478.081396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.081396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.081396 (E_RNA) where: Base-Base interactions energy: -935.636 where: short stacking energy: -414.626 Base-Backbone interact. energy: 1.297 local terms energy: -543.742238 where: bonds (distance) C4'-P energy: -114.121 bonds (distance) P-C4' energy: -143.198 flat angles C4'-P-C4' energy: -113.890 flat angles P-C4'-P energy: -102.521 tors. eta vs tors. theta energy: -70.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -939.328415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.328415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.328415 (E_RNA) where: Base-Base interactions energy: -496.372 where: short stacking energy: -252.751 Base-Backbone interact. energy: 0.550 local terms energy: -443.506958 where: bonds (distance) C4'-P energy: -113.949 bonds (distance) P-C4' energy: -146.852 flat angles C4'-P-C4' energy: -119.984 flat angles P-C4'-P energy: -64.349 tors. eta vs tors. theta energy: 1.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -3039.109111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.109111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.109111 (E_RNA) where: Base-Base interactions energy: -2167.967 where: short stacking energy: -843.320 Base-Backbone interact. energy: -5.063 local terms energy: -866.078868 where: bonds (distance) C4'-P energy: -164.785 bonds (distance) P-C4' energy: -160.665 flat angles C4'-P-C4' energy: -184.881 flat angles P-C4'-P energy: -131.929 tors. eta vs tors. theta energy: -223.819 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: 1 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2779.129890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.129890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.129890 (E_RNA) where: Base-Base interactions energy: -1919.636 where: short stacking energy: -825.698 Base-Backbone interact. energy: -1.622 local terms energy: -857.871768 where: bonds (distance) C4'-P energy: -160.277 bonds (distance) P-C4' energy: -162.145 flat angles C4'-P-C4' energy: -179.769 flat angles P-C4'-P energy: -127.941 tors. eta vs tors. theta energy: -227.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2753.914570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.914570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.914570 (E_RNA) where: Base-Base interactions energy: -1933.009 where: short stacking energy: -816.196 Base-Backbone interact. energy: -0.651 local terms energy: -820.254145 where: bonds (distance) C4'-P energy: -151.729 bonds (distance) P-C4' energy: -153.072 flat angles C4'-P-C4' energy: -170.552 flat angles P-C4'-P energy: -115.064 tors. eta vs tors. theta energy: -229.836 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: 4 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2540.777589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.777589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.777589 (E_RNA) where: Base-Base interactions energy: -1764.166 where: short stacking energy: -732.630 Base-Backbone interact. energy: -7.575 local terms energy: -769.037124 where: bonds (distance) C4'-P energy: -133.392 bonds (distance) P-C4' energy: -155.901 flat angles C4'-P-C4' energy: -156.177 flat angles P-C4'-P energy: -122.775 tors. eta vs tors. theta energy: -200.793 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: 7 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2525.077191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.077191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.077191 (E_RNA) where: Base-Base interactions energy: -1749.742 where: short stacking energy: -718.670 Base-Backbone interact. energy: -5.503 local terms energy: -769.832344 where: bonds (distance) C4'-P energy: -143.199 bonds (distance) P-C4' energy: -145.971 flat angles C4'-P-C4' energy: -177.030 flat angles P-C4'-P energy: -117.812 tors. eta vs tors. theta energy: -185.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -2215.089367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.089367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.089367 (E_RNA) where: Base-Base interactions energy: -1526.966 where: short stacking energy: -655.830 Base-Backbone interact. energy: -2.479 local terms energy: -685.644735 where: bonds (distance) C4'-P energy: -125.990 bonds (distance) P-C4' energy: -148.561 flat angles C4'-P-C4' energy: -165.916 flat angles P-C4'-P energy: -84.564 tors. eta vs tors. theta energy: -160.613 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: 8 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -2050.954008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.954008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.954008 (E_RNA) where: Base-Base interactions energy: -1393.942 where: short stacking energy: -605.817 Base-Backbone interact. energy: -3.238 local terms energy: -653.774009 where: bonds (distance) C4'-P energy: -115.981 bonds (distance) P-C4' energy: -134.354 flat angles C4'-P-C4' energy: -154.805 flat angles P-C4'-P energy: -93.642 tors. eta vs tors. theta energy: -154.992 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: 2 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1727.896058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.896058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.896058 (E_RNA) where: Base-Base interactions energy: -1163.147 where: short stacking energy: -476.552 Base-Backbone interact. energy: -1.507 local terms energy: -565.411938 where: bonds (distance) C4'-P energy: -122.542 bonds (distance) P-C4' energy: -132.244 flat angles C4'-P-C4' energy: -141.831 flat angles P-C4'-P energy: -92.906 tors. eta vs tors. theta energy: -75.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.169 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1432.284414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.284414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.284414 (E_RNA) where: Base-Base interactions energy: -894.971 where: short stacking energy: -404.430 Base-Backbone interact. energy: -1.422 local terms energy: -535.892079 where: bonds (distance) C4'-P energy: -119.579 bonds (distance) P-C4' energy: -153.660 flat angles C4'-P-C4' energy: -122.692 flat angles P-C4'-P energy: -73.161 tors. eta vs tors. theta energy: -66.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -943.830188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.830188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.830188 (E_RNA) where: Base-Base interactions energy: -497.212 where: short stacking energy: -256.193 Base-Backbone interact. energy: 5.457 local terms energy: -453.328040 where: bonds (distance) C4'-P energy: -113.604 bonds (distance) P-C4' energy: -141.123 flat angles C4'-P-C4' energy: -110.846 flat angles P-C4'-P energy: -79.572 tors. eta vs tors. theta energy: -8.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.253 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -3086.726107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.726107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.726107 (E_RNA) where: Base-Base interactions energy: -2203.568 where: short stacking energy: -876.913 Base-Backbone interact. energy: 2.364 local terms energy: -885.521536 where: bonds (distance) C4'-P energy: -165.926 bonds (distance) P-C4' energy: -171.319 flat angles C4'-P-C4' energy: -192.336 flat angles P-C4'-P energy: -124.753 tors. eta vs tors. theta energy: -231.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2790.051151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.051151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.051151 (E_RNA) where: Base-Base interactions energy: -1948.017 where: short stacking energy: -816.524 Base-Backbone interact. energy: -3.786 local terms energy: -838.248319 where: bonds (distance) C4'-P energy: -148.660 bonds (distance) P-C4' energy: -163.706 flat angles C4'-P-C4' energy: -179.803 flat angles P-C4'-P energy: -122.921 tors. eta vs tors. theta energy: -223.158 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: 5 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2753.723853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.723853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.723853 (E_RNA) where: Base-Base interactions energy: -1894.395 where: short stacking energy: -806.058 Base-Backbone interact. energy: -5.053 local terms energy: -854.276031 where: bonds (distance) C4'-P energy: -148.769 bonds (distance) P-C4' energy: -170.672 flat angles C4'-P-C4' energy: -190.235 flat angles P-C4'-P energy: -117.720 tors. eta vs tors. theta energy: -226.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2563.793587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.793587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.793587 (E_RNA) where: Base-Base interactions energy: -1755.621 where: short stacking energy: -742.436 Base-Backbone interact. energy: 2.050 local terms energy: -810.223208 where: bonds (distance) C4'-P energy: -145.629 bonds (distance) P-C4' energy: -155.674 flat angles C4'-P-C4' energy: -171.712 flat angles P-C4'-P energy: -114.919 tors. eta vs tors. theta energy: -222.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2527.735923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.735923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.735923 (E_RNA) where: Base-Base interactions energy: -1774.852 where: short stacking energy: -721.081 Base-Backbone interact. energy: 0.077 local terms energy: -752.960796 where: bonds (distance) C4'-P energy: -140.904 bonds (distance) P-C4' energy: -152.677 flat angles C4'-P-C4' energy: -171.029 flat angles P-C4'-P energy: -97.454 tors. eta vs tors. theta energy: -190.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -2174.380314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.380314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.380314 (E_RNA) where: Base-Base interactions energy: -1456.593 where: short stacking energy: -614.481 Base-Backbone interact. energy: -6.019 local terms energy: -711.767418 where: bonds (distance) C4'-P energy: -137.436 bonds (distance) P-C4' energy: -153.336 flat angles C4'-P-C4' energy: -155.872 flat angles P-C4'-P energy: -107.921 tors. eta vs tors. theta energy: -157.202 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: 7, replica: 6 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -2129.878564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.878564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.878564 (E_RNA) where: Base-Base interactions energy: -1427.405 where: short stacking energy: -620.492 Base-Backbone interact. energy: -1.919 local terms energy: -700.554796 where: bonds (distance) C4'-P energy: -122.513 bonds (distance) P-C4' energy: -151.626 flat angles C4'-P-C4' energy: -159.993 flat angles P-C4'-P energy: -105.055 tors. eta vs tors. theta energy: -161.367 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: 8, replica: 2 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1744.057011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.057011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.057011 (E_RNA) where: Base-Base interactions energy: -1178.221 where: short stacking energy: -535.684 Base-Backbone interact. energy: 2.516 local terms energy: -569.178792 where: bonds (distance) C4'-P energy: -127.352 bonds (distance) P-C4' energy: -131.894 flat angles C4'-P-C4' energy: -129.836 flat angles P-C4'-P energy: -77.711 tors. eta vs tors. theta energy: -102.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.827 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1425.703528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.703528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.703528 (E_RNA) where: Base-Base interactions energy: -878.376 where: short stacking energy: -380.612 Base-Backbone interact. energy: -2.313 local terms energy: -545.014049 where: bonds (distance) C4'-P energy: -123.646 bonds (distance) P-C4' energy: -132.154 flat angles C4'-P-C4' energy: -138.776 flat angles P-C4'-P energy: -86.619 tors. eta vs tors. theta energy: -63.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -937.052299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.052299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.052299 (E_RNA) where: Base-Base interactions energy: -494.992 where: short stacking energy: -273.405 Base-Backbone interact. energy: 0.594 local terms energy: -442.654004 where: bonds (distance) C4'-P energy: -121.764 bonds (distance) P-C4' energy: -145.937 flat angles C4'-P-C4' energy: -116.944 flat angles P-C4'-P energy: -60.402 tors. eta vs tors. theta energy: 2.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -3077.823877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.823877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.823877 (E_RNA) where: Base-Base interactions energy: -2181.128 where: short stacking energy: -856.078 Base-Backbone interact. energy: -6.406 local terms energy: -890.290279 where: bonds (distance) C4'-P energy: -181.773 bonds (distance) P-C4' energy: -178.512 flat angles C4'-P-C4' energy: -178.105 flat angles P-C4'-P energy: -124.988 tors. eta vs tors. theta energy: -226.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2843.721849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.721849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.721849 (E_RNA) where: Base-Base interactions energy: -1961.777 where: short stacking energy: -831.410 Base-Backbone interact. energy: -2.534 local terms energy: -879.411561 where: bonds (distance) C4'-P energy: -154.119 bonds (distance) P-C4' energy: -163.359 flat angles C4'-P-C4' energy: -185.799 flat angles P-C4'-P energy: -141.766 tors. eta vs tors. theta energy: -234.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2734.276273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.276273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.276273 (E_RNA) where: Base-Base interactions energy: -1904.965 where: short stacking energy: -774.389 Base-Backbone interact. energy: -3.704 local terms energy: -825.607362 where: bonds (distance) C4'-P energy: -146.407 bonds (distance) P-C4' energy: -175.766 flat angles C4'-P-C4' energy: -172.276 flat angles P-C4'-P energy: -112.126 tors. eta vs tors. theta energy: -219.032 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: 4 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2596.529550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.529550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.529550 (E_RNA) where: Base-Base interactions energy: -1795.837 where: short stacking energy: -786.642 Base-Backbone interact. energy: -4.004 local terms energy: -796.688467 where: bonds (distance) C4'-P energy: -129.411 bonds (distance) P-C4' energy: -155.752 flat angles C4'-P-C4' energy: -168.318 flat angles P-C4'-P energy: -123.869 tors. eta vs tors. theta energy: -219.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2539.315492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.315492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.315492 (E_RNA) where: Base-Base interactions energy: -1766.512 where: short stacking energy: -729.143 Base-Backbone interact. energy: -0.727 local terms energy: -772.076352 where: bonds (distance) C4'-P energy: -154.702 bonds (distance) P-C4' energy: -148.863 flat angles C4'-P-C4' energy: -165.148 flat angles P-C4'-P energy: -111.277 tors. eta vs tors. theta energy: -192.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -2179.533368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.533368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.533368 (E_RNA) where: Base-Base interactions energy: -1464.668 where: short stacking energy: -646.045 Base-Backbone interact. energy: 2.028 local terms energy: -716.893203 where: bonds (distance) C4'-P energy: -126.001 bonds (distance) P-C4' energy: -158.688 flat angles C4'-P-C4' energy: -168.779 flat angles P-C4'-P energy: -116.417 tors. eta vs tors. theta energy: -147.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -2112.885298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.885298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.885298 (E_RNA) where: Base-Base interactions energy: -1461.221 where: short stacking energy: -578.916 Base-Backbone interact. energy: -2.665 local terms energy: -648.999844 where: bonds (distance) C4'-P energy: -125.445 bonds (distance) P-C4' energy: -149.252 flat angles C4'-P-C4' energy: -140.856 flat angles P-C4'-P energy: -88.137 tors. eta vs tors. theta energy: -145.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1718.943065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.943065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.943065 (E_RNA) where: Base-Base interactions energy: -1116.670 where: short stacking energy: -497.850 Base-Backbone interact. energy: 0.910 local terms energy: -603.183190 where: bonds (distance) C4'-P energy: -119.839 bonds (distance) P-C4' energy: -150.285 flat angles C4'-P-C4' energy: -141.317 flat angles P-C4'-P energy: -85.466 tors. eta vs tors. theta energy: -106.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1360.396355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.396355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.396355 (E_RNA) where: Base-Base interactions energy: -846.341 where: short stacking energy: -412.404 Base-Backbone interact. energy: 2.498 local terms energy: -516.553394 where: bonds (distance) C4'-P energy: -126.500 bonds (distance) P-C4' energy: -123.507 flat angles C4'-P-C4' energy: -120.856 flat angles P-C4'-P energy: -83.806 tors. eta vs tors. theta energy: -61.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -942.145525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.145525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.145525 (E_RNA) where: Base-Base interactions energy: -472.334 where: short stacking energy: -283.103 Base-Backbone interact. energy: 0.353 local terms energy: -470.164778 where: bonds (distance) C4'-P energy: -124.760 bonds (distance) P-C4' energy: -146.946 flat angles C4'-P-C4' energy: -94.936 flat angles P-C4'-P energy: -94.465 tors. eta vs tors. theta energy: -9.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -3034.711705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.711705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.711705 (E_RNA) where: Base-Base interactions energy: -2149.080 where: short stacking energy: -864.018 Base-Backbone interact. energy: -4.031 local terms energy: -881.599900 where: bonds (distance) C4'-P energy: -155.553 bonds (distance) P-C4' energy: -167.524 flat angles C4'-P-C4' energy: -187.001 flat angles P-C4'-P energy: -130.373 tors. eta vs tors. theta energy: -241.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2771.627138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.627138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.627138 (E_RNA) where: Base-Base interactions energy: -1904.999 where: short stacking energy: -788.718 Base-Backbone interact. energy: -3.407 local terms energy: -863.221484 where: bonds (distance) C4'-P energy: -156.390 bonds (distance) P-C4' energy: -187.734 flat angles C4'-P-C4' energy: -180.293 flat angles P-C4'-P energy: -113.215 tors. eta vs tors. theta energy: -225.589 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: 5 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2726.160204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.160204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.160204 (E_RNA) where: Base-Base interactions energy: -1900.201 where: short stacking energy: -784.159 Base-Backbone interact. energy: -3.795 local terms energy: -822.163706 where: bonds (distance) C4'-P energy: -150.565 bonds (distance) P-C4' energy: -169.452 flat angles C4'-P-C4' energy: -167.559 flat angles P-C4'-P energy: -126.967 tors. eta vs tors. theta energy: -207.620 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: 4 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2558.436449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.436449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.436449 (E_RNA) where: Base-Base interactions energy: -1786.749 where: short stacking energy: -747.822 Base-Backbone interact. energy: -0.004 local terms energy: -771.683937 where: bonds (distance) C4'-P energy: -145.026 bonds (distance) P-C4' energy: -145.582 flat angles C4'-P-C4' energy: -169.032 flat angles P-C4'-P energy: -113.512 tors. eta vs tors. theta energy: -198.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2501.138867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.138867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.138867 (E_RNA) where: Base-Base interactions energy: -1740.981 where: short stacking energy: -712.339 Base-Backbone interact. energy: -5.513 local terms energy: -754.644751 where: bonds (distance) C4'-P energy: -133.338 bonds (distance) P-C4' energy: -146.382 flat angles C4'-P-C4' energy: -166.634 flat angles P-C4'-P energy: -114.289 tors. eta vs tors. theta energy: -194.001 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: 8 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -2176.623363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.623363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.623363 (E_RNA) where: Base-Base interactions energy: -1454.725 where: short stacking energy: -632.850 Base-Backbone interact. energy: -3.990 local terms energy: -717.909101 where: bonds (distance) C4'-P energy: -149.408 bonds (distance) P-C4' energy: -150.488 flat angles C4'-P-C4' energy: -159.175 flat angles P-C4'-P energy: -107.915 tors. eta vs tors. theta energy: -150.923 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: 271 Temperature: 1.200000 Total energy: -2082.915173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.915173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.915173 (E_RNA) where: Base-Base interactions energy: -1419.048 where: short stacking energy: -589.412 Base-Backbone interact. energy: -2.612 local terms energy: -661.255137 where: bonds (distance) C4'-P energy: -119.016 bonds (distance) P-C4' energy: -141.046 flat angles C4'-P-C4' energy: -161.503 flat angles P-C4'-P energy: -93.107 tors. eta vs tors. theta energy: -146.583 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: 2 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1698.933823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.933823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.933823 (E_RNA) where: Base-Base interactions energy: -1105.213 where: short stacking energy: -480.700 Base-Backbone interact. energy: -2.441 local terms energy: -591.279599 where: bonds (distance) C4'-P energy: -135.387 bonds (distance) P-C4' energy: -129.989 flat angles C4'-P-C4' energy: -133.440 flat angles P-C4'-P energy: -86.454 tors. eta vs tors. theta energy: -106.010 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: 271 Temperature: 1.300000 Total energy: -1426.365991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.365991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.365991 (E_RNA) where: Base-Base interactions energy: -869.991 where: short stacking energy: -411.137 Base-Backbone interact. energy: 0.853 local terms energy: -557.227994 where: bonds (distance) C4'-P energy: -117.319 bonds (distance) P-C4' energy: -152.923 flat angles C4'-P-C4' energy: -138.590 flat angles P-C4'-P energy: -80.424 tors. eta vs tors. theta energy: -67.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -1009.401092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.401092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.401092 (E_RNA) where: Base-Base interactions energy: -565.704 where: short stacking energy: -306.456 Base-Backbone interact. energy: 1.275 local terms energy: -444.971688 where: bonds (distance) C4'-P energy: -116.880 bonds (distance) P-C4' energy: -114.507 flat angles C4'-P-C4' energy: -138.512 flat angles P-C4'-P energy: -68.977 tors. eta vs tors. theta energy: -6.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -3034.672750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.672750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.672750 (E_RNA) where: Base-Base interactions energy: -2148.511 where: short stacking energy: -859.693 Base-Backbone interact. energy: -4.829 local terms energy: -881.333390 where: bonds (distance) C4'-P energy: -162.797 bonds (distance) P-C4' energy: -178.840 flat angles C4'-P-C4' energy: -188.665 flat angles P-C4'-P energy: -119.606 tors. eta vs tors. theta energy: -231.425 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: 2, replica: 1 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2787.888521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.888521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.888521 (E_RNA) where: Base-Base interactions energy: -1941.356 where: short stacking energy: -832.558 Base-Backbone interact. energy: -4.427 local terms energy: -842.105340 where: bonds (distance) C4'-P energy: -143.081 bonds (distance) P-C4' energy: -165.916 flat angles C4'-P-C4' energy: -178.918 flat angles P-C4'-P energy: -126.355 tors. eta vs tors. theta energy: -227.835 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: 5 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2718.309750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.309750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.309750 (E_RNA) where: Base-Base interactions energy: -1921.104 where: short stacking energy: -770.479 Base-Backbone interact. energy: -2.264 local terms energy: -794.941033 where: bonds (distance) C4'-P energy: -138.138 bonds (distance) P-C4' energy: -164.329 flat angles C4'-P-C4' energy: -170.091 flat angles P-C4'-P energy: -115.787 tors. eta vs tors. theta energy: -206.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2531.875923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.875923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.875923 (E_RNA) where: Base-Base interactions energy: -1759.302 where: short stacking energy: -717.210 Base-Backbone interact. energy: -4.243 local terms energy: -768.330942 where: bonds (distance) C4'-P energy: -142.240 bonds (distance) P-C4' energy: -152.241 flat angles C4'-P-C4' energy: -160.470 flat angles P-C4'-P energy: -112.225 tors. eta vs tors. theta energy: -201.155 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: 5, replica: 7 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2484.088221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.088221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.088221 (E_RNA) where: Base-Base interactions energy: -1719.090 where: short stacking energy: -724.256 Base-Backbone interact. energy: -3.336 local terms energy: -761.662818 where: bonds (distance) C4'-P energy: -140.421 bonds (distance) P-C4' energy: -158.200 flat angles C4'-P-C4' energy: -165.762 flat angles P-C4'-P energy: -114.603 tors. eta vs tors. theta energy: -182.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -2179.407594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.407594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.407594 (E_RNA) where: Base-Base interactions energy: -1447.870 where: short stacking energy: -607.023 Base-Backbone interact. energy: -2.668 local terms energy: -728.869684 where: bonds (distance) C4'-P energy: -113.750 bonds (distance) P-C4' energy: -170.045 flat angles C4'-P-C4' energy: -169.616 flat angles P-C4'-P energy: -112.717 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: 7, replica: 6 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -2160.688683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.688683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.688683 (E_RNA) where: Base-Base interactions energy: -1464.006 where: short stacking energy: -651.767 Base-Backbone interact. energy: -3.578 local terms energy: -693.104409 where: bonds (distance) C4'-P energy: -120.271 bonds (distance) P-C4' energy: -135.696 flat angles C4'-P-C4' energy: -168.666 flat angles P-C4'-P energy: -103.807 tors. eta vs tors. theta energy: -164.664 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: 8, replica: 2 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1723.992623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.992623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.992623 (E_RNA) where: Base-Base interactions energy: -1108.173 where: short stacking energy: -504.847 Base-Backbone interact. energy: -3.452 local terms energy: -612.367900 where: bonds (distance) C4'-P energy: -139.039 bonds (distance) P-C4' energy: -150.780 flat angles C4'-P-C4' energy: -136.276 flat angles P-C4'-P energy: -83.954 tors. eta vs tors. theta energy: -102.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1488.141730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.141730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.141730 (E_RNA) where: Base-Base interactions energy: -935.206 where: short stacking energy: -436.611 Base-Backbone interact. energy: 0.520 local terms energy: -553.455895 where: bonds (distance) C4'-P energy: -121.156 bonds (distance) P-C4' energy: -133.124 flat angles C4'-P-C4' energy: -124.914 flat angles P-C4'-P energy: -97.564 tors. eta vs tors. theta energy: -76.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -988.508948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.508948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.508948 (E_RNA) where: Base-Base interactions energy: -532.055 where: short stacking energy: -265.542 Base-Backbone interact. energy: -0.537 local terms energy: -456.042135 where: bonds (distance) C4'-P energy: -122.907 bonds (distance) P-C4' energy: -151.969 flat angles C4'-P-C4' energy: -118.696 flat angles P-C4'-P energy: -71.031 tors. eta vs tors. theta energy: 8.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.126 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -3043.998318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.998318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.998318 (E_RNA) where: Base-Base interactions energy: -2177.519 where: short stacking energy: -852.093 Base-Backbone interact. energy: -4.340 local terms energy: -862.139656 where: bonds (distance) C4'-P energy: -152.275 bonds (distance) P-C4' energy: -172.294 flat angles C4'-P-C4' energy: -184.044 flat angles P-C4'-P energy: -128.734 tors. eta vs tors. theta energy: -224.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2797.613964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.613964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.613964 (E_RNA) where: Base-Base interactions energy: -1941.210 where: short stacking energy: -801.174 Base-Backbone interact. energy: -1.734 local terms energy: -854.670390 where: bonds (distance) C4'-P energy: -150.156 bonds (distance) P-C4' energy: -157.797 flat angles C4'-P-C4' energy: -196.568 flat angles P-C4'-P energy: -129.484 tors. eta vs tors. theta energy: -220.665 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: 5 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2698.171404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.171404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.171404 (E_RNA) where: Base-Base interactions energy: -1893.989 where: short stacking energy: -770.952 Base-Backbone interact. energy: -3.978 local terms energy: -800.204941 where: bonds (distance) C4'-P energy: -152.354 bonds (distance) P-C4' energy: -154.695 flat angles C4'-P-C4' energy: -159.928 flat angles P-C4'-P energy: -119.825 tors. eta vs tors. theta energy: -213.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2609.191760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.191760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.191760 (E_RNA) where: Base-Base interactions energy: -1814.014 where: short stacking energy: -750.241 Base-Backbone interact. energy: -2.949 local terms energy: -792.228493 where: bonds (distance) C4'-P energy: -148.702 bonds (distance) P-C4' energy: -167.982 flat angles C4'-P-C4' energy: -175.490 flat angles P-C4'-P energy: -107.892 tors. eta vs tors. theta energy: -192.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2501.940221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.940221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.940221 (E_RNA) where: Base-Base interactions energy: -1724.117 where: short stacking energy: -730.826 Base-Backbone interact. energy: 1.678 local terms energy: -779.500375 where: bonds (distance) C4'-P energy: -140.228 bonds (distance) P-C4' energy: -167.776 flat angles C4'-P-C4' energy: -162.167 flat angles P-C4'-P energy: -113.967 tors. eta vs tors. theta energy: -195.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -2144.213440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.213440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.213440 (E_RNA) where: Base-Base interactions energy: -1440.300 where: short stacking energy: -608.931 Base-Backbone interact. energy: -3.634 local terms energy: -700.278627 where: bonds (distance) C4'-P energy: -152.278 bonds (distance) P-C4' energy: -151.043 flat angles C4'-P-C4' energy: -143.352 flat angles P-C4'-P energy: -100.768 tors. eta vs tors. theta energy: -152.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -2081.674765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.674765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.674765 (E_RNA) where: Base-Base interactions energy: -1400.765 where: short stacking energy: -604.206 Base-Backbone interact. energy: -2.489 local terms energy: -679.264536 where: bonds (distance) C4'-P energy: -130.518 bonds (distance) P-C4' energy: -148.038 flat angles C4'-P-C4' energy: -151.279 flat angles P-C4'-P energy: -97.307 tors. eta vs tors. theta energy: -152.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.844 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1659.441054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.441054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.441054 (E_RNA) where: Base-Base interactions energy: -1125.377 where: short stacking energy: -492.732 Base-Backbone interact. energy: 7.562 local terms energy: -541.625306 where: bonds (distance) C4'-P energy: -128.744 bonds (distance) P-C4' energy: -125.052 flat angles C4'-P-C4' energy: -121.978 flat angles P-C4'-P energy: -85.101 tors. eta vs tors. theta energy: -80.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1400.427206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.427206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.427206 (E_RNA) where: Base-Base interactions energy: -865.690 where: short stacking energy: -377.184 Base-Backbone interact. energy: -1.374 local terms energy: -533.362709 where: bonds (distance) C4'-P energy: -137.149 bonds (distance) P-C4' energy: -151.662 flat angles C4'-P-C4' energy: -116.984 flat angles P-C4'-P energy: -92.731 tors. eta vs tors. theta energy: -34.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -942.257060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.257060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.257060 (E_RNA) where: Base-Base interactions energy: -477.627 where: short stacking energy: -272.150 Base-Backbone interact. energy: 2.166 local terms energy: -466.795116 where: bonds (distance) C4'-P energy: -131.285 bonds (distance) P-C4' energy: -141.204 flat angles C4'-P-C4' energy: -115.713 flat angles P-C4'-P energy: -61.505 tors. eta vs tors. theta energy: -17.088 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: 3 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -3028.276931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.276931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.276931 (E_RNA) where: Base-Base interactions energy: -2125.992 where: short stacking energy: -838.055 Base-Backbone interact. energy: -6.670 local terms energy: -895.615207 where: bonds (distance) C4'-P energy: -149.295 bonds (distance) P-C4' energy: -188.109 flat angles C4'-P-C4' energy: -195.134 flat angles P-C4'-P energy: -133.693 tors. eta vs tors. theta energy: -229.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2813.265491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.265491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.265491 (E_RNA) where: Base-Base interactions energy: -1956.822 where: short stacking energy: -817.979 Base-Backbone interact. energy: -1.716 local terms energy: -854.726940 where: bonds (distance) C4'-P energy: -157.586 bonds (distance) P-C4' energy: -171.369 flat angles C4'-P-C4' energy: -179.336 flat angles P-C4'-P energy: -121.496 tors. eta vs tors. theta energy: -224.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2698.386111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.386111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.386111 (E_RNA) where: Base-Base interactions energy: -1879.934 where: short stacking energy: -787.690 Base-Backbone interact. energy: 1.733 local terms energy: -820.185818 where: bonds (distance) C4'-P energy: -155.807 bonds (distance) P-C4' energy: -166.772 flat angles C4'-P-C4' energy: -157.677 flat angles P-C4'-P energy: -114.172 tors. eta vs tors. theta energy: -225.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2571.317577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.317577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.317577 (E_RNA) where: Base-Base interactions energy: -1763.422 where: short stacking energy: -724.543 Base-Backbone interact. energy: -4.137 local terms energy: -803.758630 where: bonds (distance) C4'-P energy: -154.443 bonds (distance) P-C4' energy: -148.239 flat angles C4'-P-C4' energy: -186.782 flat angles P-C4'-P energy: -118.867 tors. eta vs tors. theta energy: -195.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2472.991524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.991524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.991524 (E_RNA) where: Base-Base interactions energy: -1727.276 where: short stacking energy: -734.576 Base-Backbone interact. energy: -4.596 local terms energy: -741.119160 where: bonds (distance) C4'-P energy: -147.940 bonds (distance) P-C4' energy: -149.484 flat angles C4'-P-C4' energy: -164.833 flat angles P-C4'-P energy: -97.432 tors. eta vs tors. theta energy: -181.430 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: 6 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -2183.950505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.950505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.950505 (E_RNA) where: Base-Base interactions energy: -1495.902 where: short stacking energy: -642.845 Base-Backbone interact. energy: -3.593 local terms energy: -684.455988 where: bonds (distance) C4'-P energy: -129.345 bonds (distance) P-C4' energy: -145.394 flat angles C4'-P-C4' energy: -160.169 flat angles P-C4'-P energy: -99.152 tors. eta vs tors. theta energy: -150.396 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: 7, replica: 8 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -2075.680033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.680033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.680033 (E_RNA) where: Base-Base interactions energy: -1393.607 where: short stacking energy: -581.897 Base-Backbone interact. energy: -2.305 local terms energy: -679.767609 where: bonds (distance) C4'-P energy: -120.152 bonds (distance) P-C4' energy: -135.261 flat angles C4'-P-C4' energy: -160.771 flat angles P-C4'-P energy: -102.524 tors. eta vs tors. theta energy: -161.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1653.971757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.971757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.971757 (E_RNA) where: Base-Base interactions energy: -1068.482 where: short stacking energy: -486.743 Base-Backbone interact. energy: 0.716 local terms energy: -586.205905 where: bonds (distance) C4'-P energy: -116.700 bonds (distance) P-C4' energy: -137.436 flat angles C4'-P-C4' energy: -137.520 flat angles P-C4'-P energy: -83.022 tors. eta vs tors. theta energy: -111.527 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: 274 Temperature: 1.300000 Total energy: -1435.075699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.075699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.075699 (E_RNA) where: Base-Base interactions energy: -898.035 where: short stacking energy: -418.238 Base-Backbone interact. energy: 4.693 local terms energy: -541.733639 where: bonds (distance) C4'-P energy: -145.801 bonds (distance) P-C4' energy: -139.172 flat angles C4'-P-C4' energy: -119.361 flat angles P-C4'-P energy: -79.407 tors. eta vs tors. theta energy: -57.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -953.780366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.780366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.780366 (E_RNA) where: Base-Base interactions energy: -506.931 where: short stacking energy: -275.410 Base-Backbone interact. energy: 1.053 local terms energy: -448.096387 where: bonds (distance) C4'-P energy: -126.927 bonds (distance) P-C4' energy: -138.792 flat angles C4'-P-C4' energy: -125.270 flat angles P-C4'-P energy: -63.778 tors. eta vs tors. theta energy: 6.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.195 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -3041.667056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.667056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.667056 (E_RNA) where: Base-Base interactions energy: -2162.670 where: short stacking energy: -846.408 Base-Backbone interact. energy: -7.517 local terms energy: -871.479278 where: bonds (distance) C4'-P energy: -158.779 bonds (distance) P-C4' energy: -166.174 flat angles C4'-P-C4' energy: -194.856 flat angles P-C4'-P energy: -125.922 tors. eta vs tors. theta energy: -225.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2791.007701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.007701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.007701 (E_RNA) where: Base-Base interactions energy: -1948.974 where: short stacking energy: -801.774 Base-Backbone interact. energy: -4.234 local terms energy: -837.799230 where: bonds (distance) C4'-P energy: -168.866 bonds (distance) P-C4' energy: -161.291 flat angles C4'-P-C4' energy: -174.535 flat angles P-C4'-P energy: -111.754 tors. eta vs tors. theta energy: -221.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2722.019550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.019550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.019550 (E_RNA) where: Base-Base interactions energy: -1908.666 where: short stacking energy: -789.849 Base-Backbone interact. energy: 4.826 local terms energy: -818.179481 where: bonds (distance) C4'-P energy: -150.000 bonds (distance) P-C4' energy: -160.154 flat angles C4'-P-C4' energy: -180.315 flat angles P-C4'-P energy: -116.323 tors. eta vs tors. theta energy: -211.387 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: 7 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2608.223775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.223775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.223775 (E_RNA) where: Base-Base interactions energy: -1756.422 where: short stacking energy: -748.409 Base-Backbone interact. energy: -5.630 local terms energy: -846.171589 where: bonds (distance) C4'-P energy: -162.239 bonds (distance) P-C4' energy: -164.039 flat angles C4'-P-C4' energy: -178.288 flat angles P-C4'-P energy: -130.752 tors. eta vs tors. theta energy: -210.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2472.344175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.344175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.344175 (E_RNA) where: Base-Base interactions energy: -1721.339 where: short stacking energy: -713.986 Base-Backbone interact. energy: -6.643 local terms energy: -744.362133 where: bonds (distance) C4'-P energy: -144.461 bonds (distance) P-C4' energy: -154.728 flat angles C4'-P-C4' energy: -158.301 flat angles P-C4'-P energy: -92.943 tors. eta vs tors. theta energy: -193.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -2189.551752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.551752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.551752 (E_RNA) where: Base-Base interactions energy: -1504.303 where: short stacking energy: -657.569 Base-Backbone interact. energy: 4.818 local terms energy: -690.067020 where: bonds (distance) C4'-P energy: -133.262 bonds (distance) P-C4' energy: -130.878 flat angles C4'-P-C4' energy: -154.579 flat angles P-C4'-P energy: -108.505 tors. eta vs tors. theta energy: -162.843 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: 8 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -2089.325520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.325520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.325520 (E_RNA) where: Base-Base interactions energy: -1402.486 where: short stacking energy: -608.101 Base-Backbone interact. energy: 5.982 local terms energy: -692.987167 where: bonds (distance) C4'-P energy: -142.747 bonds (distance) P-C4' energy: -157.554 flat angles C4'-P-C4' energy: -146.185 flat angles P-C4'-P energy: -103.224 tors. eta vs tors. theta energy: -143.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.166 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1656.751161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.751161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.751161 (E_RNA) where: Base-Base interactions energy: -1057.548 where: short stacking energy: -500.485 Base-Backbone interact. energy: 3.199 local terms energy: -602.402543 where: bonds (distance) C4'-P energy: -142.336 bonds (distance) P-C4' energy: -149.716 flat angles C4'-P-C4' energy: -132.591 flat angles P-C4'-P energy: -72.813 tors. eta vs tors. theta energy: -104.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1388.744445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.744445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.744445 (E_RNA) where: Base-Base interactions energy: -826.510 where: short stacking energy: -400.961 Base-Backbone interact. energy: -0.536 local terms energy: -561.698338 where: bonds (distance) C4'-P energy: -137.879 bonds (distance) P-C4' energy: -141.846 flat angles C4'-P-C4' energy: -125.564 flat angles P-C4'-P energy: -86.318 tors. eta vs tors. theta energy: -70.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -1010.201690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.201690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.201690 (E_RNA) where: Base-Base interactions energy: -529.580 where: short stacking energy: -288.802 Base-Backbone interact. energy: 2.328 local terms energy: -482.949320 where: bonds (distance) C4'-P energy: -143.357 bonds (distance) P-C4' energy: -134.404 flat angles C4'-P-C4' energy: -109.455 flat angles P-C4'-P energy: -85.720 tors. eta vs tors. theta energy: -10.013 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: 3 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -3028.483929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.483929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.483929 (E_RNA) where: Base-Base interactions energy: -2152.743 where: short stacking energy: -837.408 Base-Backbone interact. energy: -3.994 local terms energy: -871.746900 where: bonds (distance) C4'-P energy: -153.736 bonds (distance) P-C4' energy: -171.419 flat angles C4'-P-C4' energy: -190.117 flat angles P-C4'-P energy: -131.014 tors. eta vs tors. theta energy: -225.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2742.613132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.613132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.613132 (E_RNA) where: Base-Base interactions energy: -1897.240 where: short stacking energy: -797.459 Base-Backbone interact. energy: -3.864 local terms energy: -841.509120 where: bonds (distance) C4'-P energy: -154.543 bonds (distance) P-C4' energy: -171.206 flat angles C4'-P-C4' energy: -187.362 flat angles P-C4'-P energy: -124.207 tors. eta vs tors. theta energy: -204.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2705.757366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.757366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.757366 (E_RNA) where: Base-Base interactions energy: -1906.607 where: short stacking energy: -801.940 Base-Backbone interact. energy: 3.927 local terms energy: -803.077049 where: bonds (distance) C4'-P energy: -151.678 bonds (distance) P-C4' energy: -158.938 flat angles C4'-P-C4' energy: -175.356 flat angles P-C4'-P energy: -104.193 tors. eta vs tors. theta energy: -212.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2550.001949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.001949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.001949 (E_RNA) where: Base-Base interactions energy: -1762.527 where: short stacking energy: -702.963 Base-Backbone interact. energy: -3.379 local terms energy: -784.095771 where: bonds (distance) C4'-P energy: -152.807 bonds (distance) P-C4' energy: -162.878 flat angles C4'-P-C4' energy: -167.023 flat angles P-C4'-P energy: -116.995 tors. eta vs tors. theta energy: -184.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2519.947993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.947993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.947993 (E_RNA) where: Base-Base interactions energy: -1753.216 where: short stacking energy: -708.129 Base-Backbone interact. energy: 0.308 local terms energy: -767.040692 where: bonds (distance) C4'-P energy: -145.630 bonds (distance) P-C4' energy: -151.432 flat angles C4'-P-C4' energy: -175.277 flat angles P-C4'-P energy: -116.844 tors. eta vs tors. theta energy: -177.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -2218.952842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.952842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.952842 (E_RNA) where: Base-Base interactions energy: -1510.276 where: short stacking energy: -665.845 Base-Backbone interact. energy: -2.730 local terms energy: -705.947051 where: bonds (distance) C4'-P energy: -137.157 bonds (distance) P-C4' energy: -148.898 flat angles C4'-P-C4' energy: -148.768 flat angles P-C4'-P energy: -99.491 tors. eta vs tors. theta energy: -171.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -2192.664627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.664627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.664627 (E_RNA) where: Base-Base interactions energy: -1504.305 where: short stacking energy: -629.941 Base-Backbone interact. energy: 0.731 local terms energy: -689.090161 where: bonds (distance) C4'-P energy: -131.674 bonds (distance) P-C4' energy: -140.997 flat angles C4'-P-C4' energy: -149.418 flat angles P-C4'-P energy: -90.713 tors. eta vs tors. theta energy: -176.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1640.195748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.195748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.195748 (E_RNA) where: Base-Base interactions energy: -1047.951 where: short stacking energy: -449.128 Base-Backbone interact. energy: -0.849 local terms energy: -591.395443 where: bonds (distance) C4'-P energy: -119.430 bonds (distance) P-C4' energy: -136.204 flat angles C4'-P-C4' energy: -144.487 flat angles P-C4'-P energy: -103.404 tors. eta vs tors. theta energy: -87.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1385.858031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.858031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.858031 (E_RNA) where: Base-Base interactions energy: -864.024 where: short stacking energy: -370.843 Base-Backbone interact. energy: 2.412 local terms energy: -524.246503 where: bonds (distance) C4'-P energy: -107.094 bonds (distance) P-C4' energy: -143.345 flat angles C4'-P-C4' energy: -127.579 flat angles P-C4'-P energy: -87.333 tors. eta vs tors. theta energy: -58.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -936.217987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.217987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.217987 (E_RNA) where: Base-Base interactions energy: -471.729 where: short stacking energy: -267.300 Base-Backbone interact. energy: -2.236 local terms energy: -462.253397 where: bonds (distance) C4'-P energy: -113.400 bonds (distance) P-C4' energy: -156.007 flat angles C4'-P-C4' energy: -112.402 flat angles P-C4'-P energy: -66.473 tors. eta vs tors. theta energy: -13.972 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: 277 Temperature: 0.900000 Total energy: -3026.975671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.975671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.975671 (E_RNA) where: Base-Base interactions energy: -2148.546 where: short stacking energy: -834.593 Base-Backbone interact. energy: -5.195 local terms energy: -873.234833 where: bonds (distance) C4'-P energy: -165.416 bonds (distance) P-C4' energy: -176.249 flat angles C4'-P-C4' energy: -176.732 flat angles P-C4'-P energy: -127.978 tors. eta vs tors. theta energy: -226.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2838.403271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.403271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.403271 (E_RNA) where: Base-Base interactions energy: -1989.750 where: short stacking energy: -825.421 Base-Backbone interact. energy: -5.128 local terms energy: -843.524794 where: bonds (distance) C4'-P energy: -144.272 bonds (distance) P-C4' energy: -170.560 flat angles C4'-P-C4' energy: -180.278 flat angles P-C4'-P energy: -128.036 tors. eta vs tors. theta energy: -220.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2701.072840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.072840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.072840 (E_RNA) where: Base-Base interactions energy: -1899.315 where: short stacking energy: -771.716 Base-Backbone interact. energy: -2.431 local terms energy: -799.326268 where: bonds (distance) C4'-P energy: -142.435 bonds (distance) P-C4' energy: -159.409 flat angles C4'-P-C4' energy: -180.461 flat angles P-C4'-P energy: -115.446 tors. eta vs tors. theta energy: -201.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2561.106411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.106411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.106411 (E_RNA) where: Base-Base interactions energy: -1748.619 where: short stacking energy: -729.766 Base-Backbone interact. energy: -3.963 local terms energy: -808.524461 where: bonds (distance) C4'-P energy: -145.750 bonds (distance) P-C4' energy: -169.040 flat angles C4'-P-C4' energy: -180.012 flat angles P-C4'-P energy: -119.873 tors. eta vs tors. theta energy: -193.850 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: 4 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2535.542514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.542514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.542514 (E_RNA) where: Base-Base interactions energy: -1766.059 where: short stacking energy: -738.850 Base-Backbone interact. energy: -2.586 local terms energy: -766.898042 where: bonds (distance) C4'-P energy: -122.933 bonds (distance) P-C4' energy: -178.438 flat angles C4'-P-C4' energy: -164.453 flat angles P-C4'-P energy: -106.576 tors. eta vs tors. theta energy: -194.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -2192.729254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.729254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.729254 (E_RNA) where: Base-Base interactions energy: -1513.241 where: short stacking energy: -635.069 Base-Backbone interact. energy: -1.643 local terms energy: -677.845591 where: bonds (distance) C4'-P energy: -140.641 bonds (distance) P-C4' energy: -155.114 flat angles C4'-P-C4' energy: -150.193 flat angles P-C4'-P energy: -97.591 tors. eta vs tors. theta energy: -134.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -2071.463260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.463260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.463260 (E_RNA) where: Base-Base interactions energy: -1405.229 where: short stacking energy: -593.927 Base-Backbone interact. energy: -3.215 local terms energy: -663.019205 where: bonds (distance) C4'-P energy: -122.001 bonds (distance) P-C4' energy: -155.625 flat angles C4'-P-C4' energy: -160.750 flat angles P-C4'-P energy: -85.994 tors. eta vs tors. theta energy: -138.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1645.984821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.984821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.984821 (E_RNA) where: Base-Base interactions energy: -1045.795 where: short stacking energy: -474.042 Base-Backbone interact. energy: 0.208 local terms energy: -600.397511 where: bonds (distance) C4'-P energy: -122.627 bonds (distance) P-C4' energy: -136.563 flat angles C4'-P-C4' energy: -158.763 flat angles P-C4'-P energy: -96.339 tors. eta vs tors. theta energy: -86.106 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: 277 Temperature: 1.300000 Total energy: -1395.001012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.001012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.001012 (E_RNA) where: Base-Base interactions energy: -850.029 where: short stacking energy: -412.723 Base-Backbone interact. energy: 1.934 local terms energy: -546.906760 where: bonds (distance) C4'-P energy: -137.539 bonds (distance) P-C4' energy: -142.605 flat angles C4'-P-C4' energy: -144.891 flat angles P-C4'-P energy: -62.259 tors. eta vs tors. theta energy: -59.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -915.166522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.166522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.166522 (E_RNA) where: Base-Base interactions energy: -500.777 where: short stacking energy: -261.608 Base-Backbone interact. energy: 9.622 local terms energy: -424.011990 where: bonds (distance) C4'-P energy: -116.393 bonds (distance) P-C4' energy: -149.456 flat angles C4'-P-C4' energy: -108.619 flat angles P-C4'-P energy: -63.401 tors. eta vs tors. theta energy: 13.857 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: 1, replica: 3 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -3020.127315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.127315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.127315 (E_RNA) where: Base-Base interactions energy: -2156.251 where: short stacking energy: -851.401 Base-Backbone interact. energy: -4.668 local terms energy: -859.208059 where: bonds (distance) C4'-P energy: -154.613 bonds (distance) P-C4' energy: -164.066 flat angles C4'-P-C4' energy: -182.922 flat angles P-C4'-P energy: -131.311 tors. eta vs tors. theta energy: -226.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2831.888453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.888453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.888453 (E_RNA) where: Base-Base interactions energy: -1955.462 where: short stacking energy: -807.897 Base-Backbone interact. energy: -6.975 local terms energy: -869.451573 where: bonds (distance) C4'-P energy: -153.503 bonds (distance) P-C4' energy: -173.878 flat angles C4'-P-C4' energy: -177.637 flat angles P-C4'-P energy: -135.169 tors. eta vs tors. theta energy: -229.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2692.191885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.191885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.191885 (E_RNA) where: Base-Base interactions energy: -1869.139 where: short stacking energy: -767.504 Base-Backbone interact. energy: -4.541 local terms energy: -818.511771 where: bonds (distance) C4'-P energy: -156.314 bonds (distance) P-C4' energy: -161.044 flat angles C4'-P-C4' energy: -170.161 flat angles P-C4'-P energy: -119.615 tors. eta vs tors. theta energy: -211.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2555.737171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.737171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.737171 (E_RNA) where: Base-Base interactions energy: -1794.123 where: short stacking energy: -743.569 Base-Backbone interact. energy: 0.808 local terms energy: -762.421844 where: bonds (distance) C4'-P energy: -139.095 bonds (distance) P-C4' energy: -149.641 flat angles C4'-P-C4' energy: -150.953 flat angles P-C4'-P energy: -124.722 tors. eta vs tors. theta energy: -198.011 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: 4 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2459.129033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.129033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.129033 (E_RNA) where: Base-Base interactions energy: -1733.235 where: short stacking energy: -714.119 Base-Backbone interact. energy: -3.907 local terms energy: -721.987282 where: bonds (distance) C4'-P energy: -133.056 bonds (distance) P-C4' energy: -145.970 flat angles C4'-P-C4' energy: -161.367 flat angles P-C4'-P energy: -99.367 tors. eta vs tors. theta energy: -182.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -2190.343781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.343781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.343781 (E_RNA) where: Base-Base interactions energy: -1461.764 where: short stacking energy: -662.813 Base-Backbone interact. energy: 0.989 local terms energy: -729.568545 where: bonds (distance) C4'-P energy: -151.658 bonds (distance) P-C4' energy: -145.082 flat angles C4'-P-C4' energy: -166.911 flat angles P-C4'-P energy: -101.660 tors. eta vs tors. theta energy: -164.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -2066.363298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.363298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.363298 (E_RNA) where: Base-Base interactions energy: -1396.752 where: short stacking energy: -585.483 Base-Backbone interact. energy: 1.464 local terms energy: -671.111270 where: bonds (distance) C4'-P energy: -141.076 bonds (distance) P-C4' energy: -147.493 flat angles C4'-P-C4' energy: -132.998 flat angles P-C4'-P energy: -98.264 tors. eta vs tors. theta energy: -151.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.036 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1642.043155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.043155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.043155 (E_RNA) where: Base-Base interactions energy: -1041.909 where: short stacking energy: -447.153 Base-Backbone interact. energy: -3.574 local terms energy: -596.921195 where: bonds (distance) C4'-P energy: -120.373 bonds (distance) P-C4' energy: -135.697 flat angles C4'-P-C4' energy: -154.576 flat angles P-C4'-P energy: -94.250 tors. eta vs tors. theta energy: -92.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.361 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1390.792573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.792573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.792573 (E_RNA) where: Base-Base interactions energy: -857.845 where: short stacking energy: -400.708 Base-Backbone interact. energy: 0.222 local terms energy: -533.170063 where: bonds (distance) C4'-P energy: -125.375 bonds (distance) P-C4' energy: -137.380 flat angles C4'-P-C4' energy: -130.849 flat angles P-C4'-P energy: -81.571 tors. eta vs tors. theta energy: -57.995 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: 10 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -949.450628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.450628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.450628 (E_RNA) where: Base-Base interactions energy: -505.230 where: short stacking energy: -274.727 Base-Backbone interact. energy: 1.588 local terms energy: -445.809043 where: bonds (distance) C4'-P energy: -141.151 bonds (distance) P-C4' energy: -143.036 flat angles C4'-P-C4' energy: -102.218 flat angles P-C4'-P energy: -54.260 tors. eta vs tors. theta energy: -5.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -3052.475760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.475760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.475760 (E_RNA) where: Base-Base interactions energy: -2170.863 where: short stacking energy: -864.441 Base-Backbone interact. energy: -4.831 local terms energy: -876.781923 where: bonds (distance) C4'-P energy: -166.412 bonds (distance) P-C4' energy: -160.539 flat angles C4'-P-C4' energy: -187.198 flat angles P-C4'-P energy: -127.137 tors. eta vs tors. theta energy: -235.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2784.737263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.737263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.737263 (E_RNA) where: Base-Base interactions energy: -1921.924 where: short stacking energy: -803.785 Base-Backbone interact. energy: -3.591 local terms energy: -859.221522 where: bonds (distance) C4'-P energy: -158.608 bonds (distance) P-C4' energy: -171.445 flat angles C4'-P-C4' energy: -187.612 flat angles P-C4'-P energy: -113.260 tors. eta vs tors. theta energy: -228.297 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: 1 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2689.039694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.039694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.039694 (E_RNA) where: Base-Base interactions energy: -1868.951 where: short stacking energy: -763.734 Base-Backbone interact. energy: -5.027 local terms energy: -815.060902 where: bonds (distance) C4'-P energy: -149.078 bonds (distance) P-C4' energy: -165.934 flat angles C4'-P-C4' energy: -165.580 flat angles P-C4'-P energy: -124.991 tors. eta vs tors. theta energy: -209.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2580.262356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.262356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.262356 (E_RNA) where: Base-Base interactions energy: -1789.755 where: short stacking energy: -757.172 Base-Backbone interact. energy: -1.844 local terms energy: -788.663209 where: bonds (distance) C4'-P energy: -148.048 bonds (distance) P-C4' energy: -160.671 flat angles C4'-P-C4' energy: -178.727 flat angles P-C4'-P energy: -104.953 tors. eta vs tors. theta energy: -196.264 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: 4 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2492.984914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.984914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.984914 (E_RNA) where: Base-Base interactions energy: -1728.770 where: short stacking energy: -730.046 Base-Backbone interact. energy: -2.072 local terms energy: -762.143693 where: bonds (distance) C4'-P energy: -152.896 bonds (distance) P-C4' energy: -136.208 flat angles C4'-P-C4' energy: -166.875 flat angles P-C4'-P energy: -98.935 tors. eta vs tors. theta energy: -207.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -2175.326452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.326452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.326452 (E_RNA) where: Base-Base interactions energy: -1458.240 where: short stacking energy: -646.675 Base-Backbone interact. energy: -1.334 local terms energy: -715.751994 where: bonds (distance) C4'-P energy: -139.581 bonds (distance) P-C4' energy: -147.784 flat angles C4'-P-C4' energy: -165.575 flat angles P-C4'-P energy: -114.310 tors. eta vs tors. theta energy: -148.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -2059.304987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.304987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.304987 (E_RNA) where: Base-Base interactions energy: -1389.584 where: short stacking energy: -589.460 Base-Backbone interact. energy: 1.370 local terms energy: -671.762677 where: bonds (distance) C4'-P energy: -147.068 bonds (distance) P-C4' energy: -128.783 flat angles C4'-P-C4' energy: -150.747 flat angles P-C4'-P energy: -97.765 tors. eta vs tors. theta energy: -147.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.672 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1681.441331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.441331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.441331 (E_RNA) where: Base-Base interactions energy: -1059.564 where: short stacking energy: -489.474 Base-Backbone interact. energy: 3.741 local terms energy: -625.619074 where: bonds (distance) C4'-P energy: -148.020 bonds (distance) P-C4' energy: -141.633 flat angles C4'-P-C4' energy: -141.558 flat angles P-C4'-P energy: -79.650 tors. eta vs tors. theta energy: -114.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1457.969433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.969433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.969433 (E_RNA) where: Base-Base interactions energy: -898.019 where: short stacking energy: -434.193 Base-Backbone interact. energy: -1.845 local terms energy: -558.105685 where: bonds (distance) C4'-P energy: -131.264 bonds (distance) P-C4' energy: -138.726 flat angles C4'-P-C4' energy: -133.940 flat angles P-C4'-P energy: -77.658 tors. eta vs tors. theta energy: -76.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -930.027044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.027044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.027044 (E_RNA) where: Base-Base interactions energy: -475.237 where: short stacking energy: -260.296 Base-Backbone interact. energy: 0.842 local terms energy: -455.631954 where: bonds (distance) C4'-P energy: -142.942 bonds (distance) P-C4' energy: -125.055 flat angles C4'-P-C4' energy: -121.988 flat angles P-C4'-P energy: -60.923 tors. eta vs tors. theta energy: -4.724 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: 3 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -3078.598208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.598208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.598208 (E_RNA) where: Base-Base interactions energy: -2181.102 where: short stacking energy: -839.040 Base-Backbone interact. energy: -5.981 local terms energy: -891.515543 where: bonds (distance) C4'-P energy: -160.023 bonds (distance) P-C4' energy: -158.774 flat angles C4'-P-C4' energy: -195.027 flat angles P-C4'-P energy: -134.701 tors. eta vs tors. theta energy: -242.990 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: 5 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2791.307387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.307387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.307387 (E_RNA) where: Base-Base interactions energy: -1937.772 where: short stacking energy: -822.369 Base-Backbone interact. energy: -6.778 local terms energy: -846.757064 where: bonds (distance) C4'-P energy: -140.072 bonds (distance) P-C4' energy: -175.604 flat angles C4'-P-C4' energy: -161.465 flat angles P-C4'-P energy: -138.755 tors. eta vs tors. theta energy: -230.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2711.649135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.649135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.649135 (E_RNA) where: Base-Base interactions energy: -1877.881 where: short stacking energy: -797.027 Base-Backbone interact. energy: -3.188 local terms energy: -830.579834 where: bonds (distance) C4'-P energy: -149.513 bonds (distance) P-C4' energy: -157.022 flat angles C4'-P-C4' energy: -173.404 flat angles P-C4'-P energy: -134.819 tors. eta vs tors. theta energy: -215.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2590.373254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.373254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.373254 (E_RNA) where: Base-Base interactions energy: -1801.816 where: short stacking energy: -734.985 Base-Backbone interact. energy: -1.882 local terms energy: -786.675176 where: bonds (distance) C4'-P energy: -145.788 bonds (distance) P-C4' energy: -164.823 flat angles C4'-P-C4' energy: -163.420 flat angles P-C4'-P energy: -109.936 tors. eta vs tors. theta energy: -202.709 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: 4 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2491.145135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.145135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.145135 (E_RNA) where: Base-Base interactions energy: -1749.230 where: short stacking energy: -717.653 Base-Backbone interact. energy: -0.483 local terms energy: -741.432650 where: bonds (distance) C4'-P energy: -130.309 bonds (distance) P-C4' energy: -146.313 flat angles C4'-P-C4' energy: -171.362 flat angles P-C4'-P energy: -111.636 tors. eta vs tors. theta energy: -181.813 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: 6 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -2172.030578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.030578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.030578 (E_RNA) where: Base-Base interactions energy: -1482.003 where: short stacking energy: -632.596 Base-Backbone interact. energy: 6.344 local terms energy: -696.372033 where: bonds (distance) C4'-P energy: -127.793 bonds (distance) P-C4' energy: -149.968 flat angles C4'-P-C4' energy: -156.851 flat angles P-C4'-P energy: -106.600 tors. eta vs tors. theta energy: -155.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -2054.480792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.480792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.480792 (E_RNA) where: Base-Base interactions energy: -1402.645 where: short stacking energy: -609.703 Base-Backbone interact. energy: 0.443 local terms energy: -652.279214 where: bonds (distance) C4'-P energy: -114.678 bonds (distance) P-C4' energy: -156.312 flat angles C4'-P-C4' energy: -142.544 flat angles P-C4'-P energy: -95.232 tors. eta vs tors. theta energy: -143.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1693.377241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.377241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.377241 (E_RNA) where: Base-Base interactions energy: -1102.442 where: short stacking energy: -492.249 Base-Backbone interact. energy: -4.945 local terms energy: -587.128292 where: bonds (distance) C4'-P energy: -128.563 bonds (distance) P-C4' energy: -135.526 flat angles C4'-P-C4' energy: -139.966 flat angles P-C4'-P energy: -92.258 tors. eta vs tors. theta energy: -90.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.138 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1464.481110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.481110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.481110 (E_RNA) where: Base-Base interactions energy: -902.978 where: short stacking energy: -412.790 Base-Backbone interact. energy: 3.586 local terms energy: -565.089066 where: bonds (distance) C4'-P energy: -117.073 bonds (distance) P-C4' energy: -144.459 flat angles C4'-P-C4' energy: -137.418 flat angles P-C4'-P energy: -84.241 tors. eta vs tors. theta energy: -81.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -924.619356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.619356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.619356 (E_RNA) where: Base-Base interactions energy: -498.611 where: short stacking energy: -283.133 Base-Backbone interact. energy: -1.721 local terms energy: -424.286970 where: bonds (distance) C4'-P energy: -121.415 bonds (distance) P-C4' energy: -127.852 flat angles C4'-P-C4' energy: -115.502 flat angles P-C4'-P energy: -67.356 tors. eta vs tors. theta energy: 7.839 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: 3 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -3035.533699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.533699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.533699 (E_RNA) where: Base-Base interactions energy: -2141.262 where: short stacking energy: -855.294 Base-Backbone interact. energy: -5.552 local terms energy: -888.720092 where: bonds (distance) C4'-P energy: -166.837 bonds (distance) P-C4' energy: -172.126 flat angles C4'-P-C4' energy: -177.191 flat angles P-C4'-P energy: -136.424 tors. eta vs tors. theta energy: -236.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2786.119537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.119537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.119537 (E_RNA) where: Base-Base interactions energy: -1940.642 where: short stacking energy: -813.002 Base-Backbone interact. energy: -0.451 local terms energy: -845.026004 where: bonds (distance) C4'-P energy: -147.221 bonds (distance) P-C4' energy: -171.137 flat angles C4'-P-C4' energy: -179.377 flat angles P-C4'-P energy: -125.775 tors. eta vs tors. theta energy: -221.516 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: 3, replica: 5 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2690.069954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.069954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.069954 (E_RNA) where: Base-Base interactions energy: -1896.825 where: short stacking energy: -803.978 Base-Backbone interact. energy: -2.776 local terms energy: -790.469085 where: bonds (distance) C4'-P energy: -137.720 bonds (distance) P-C4' energy: -159.994 flat angles C4'-P-C4' energy: -159.799 flat angles P-C4'-P energy: -122.004 tors. eta vs tors. theta energy: -210.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2576.013957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.013957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.013957 (E_RNA) where: Base-Base interactions energy: -1779.422 where: short stacking energy: -752.357 Base-Backbone interact. energy: -1.816 local terms energy: -794.775826 where: bonds (distance) C4'-P energy: -149.542 bonds (distance) P-C4' energy: -153.138 flat angles C4'-P-C4' energy: -162.565 flat angles P-C4'-P energy: -113.951 tors. eta vs tors. theta energy: -215.580 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: 5, replica: 4 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2483.561374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.561374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.561374 (E_RNA) where: Base-Base interactions energy: -1738.449 where: short stacking energy: -730.360 Base-Backbone interact. energy: -6.375 local terms energy: -738.737641 where: bonds (distance) C4'-P energy: -124.104 bonds (distance) P-C4' energy: -162.727 flat angles C4'-P-C4' energy: -157.824 flat angles P-C4'-P energy: -112.006 tors. eta vs tors. theta energy: -182.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -2253.894868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.894868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.894868 (E_RNA) where: Base-Base interactions energy: -1523.577 where: short stacking energy: -656.975 Base-Backbone interact. energy: -1.989 local terms energy: -728.328561 where: bonds (distance) C4'-P energy: -145.540 bonds (distance) P-C4' energy: -142.026 flat angles C4'-P-C4' energy: -174.317 flat angles P-C4'-P energy: -109.267 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: 7, replica: 8 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -2074.868028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.868028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.868028 (E_RNA) where: Base-Base interactions energy: -1399.316 where: short stacking energy: -609.153 Base-Backbone interact. energy: -3.453 local terms energy: -672.099108 where: bonds (distance) C4'-P energy: -122.272 bonds (distance) P-C4' energy: -134.183 flat angles C4'-P-C4' energy: -160.003 flat angles P-C4'-P energy: -95.750 tors. eta vs tors. theta energy: -159.891 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: 2 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1659.042771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.042771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.042771 (E_RNA) where: Base-Base interactions energy: -1050.316 where: short stacking energy: -475.437 Base-Backbone interact. energy: 5.397 local terms energy: -614.122946 where: bonds (distance) C4'-P energy: -141.607 bonds (distance) P-C4' energy: -145.680 flat angles C4'-P-C4' energy: -141.844 flat angles P-C4'-P energy: -90.957 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: 281 Temperature: 1.300000 Total energy: -1383.020034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.020034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.020034 (E_RNA) where: Base-Base interactions energy: -867.311 where: short stacking energy: -406.670 Base-Backbone interact. energy: 1.371 local terms energy: -517.079807 where: bonds (distance) C4'-P energy: -128.799 bonds (distance) P-C4' energy: -143.030 flat angles C4'-P-C4' energy: -126.270 flat angles P-C4'-P energy: -64.713 tors. eta vs tors. theta energy: -54.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -931.033401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.033401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.033401 (E_RNA) where: Base-Base interactions energy: -513.380 where: short stacking energy: -265.128 Base-Backbone interact. energy: 0.584 local terms energy: -418.237317 where: bonds (distance) C4'-P energy: -116.367 bonds (distance) P-C4' energy: -143.860 flat angles C4'-P-C4' energy: -86.169 flat angles P-C4'-P energy: -76.001 tors. eta vs tors. theta energy: 4.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -3035.995489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.995489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.995489 (E_RNA) where: Base-Base interactions energy: -2150.332 where: short stacking energy: -860.791 Base-Backbone interact. energy: -1.906 local terms energy: -883.757613 where: bonds (distance) C4'-P energy: -170.776 bonds (distance) P-C4' energy: -163.477 flat angles C4'-P-C4' energy: -184.725 flat angles P-C4'-P energy: -125.816 tors. eta vs tors. theta energy: -238.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2777.930945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.930945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.930945 (E_RNA) where: Base-Base interactions energy: -1918.097 where: short stacking energy: -801.775 Base-Backbone interact. energy: -2.756 local terms energy: -857.078627 where: bonds (distance) C4'-P energy: -156.859 bonds (distance) P-C4' energy: -167.805 flat angles C4'-P-C4' energy: -186.662 flat angles P-C4'-P energy: -128.884 tors. eta vs tors. theta energy: -216.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2708.803843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.803843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.803843 (E_RNA) where: Base-Base interactions energy: -1890.078 where: short stacking energy: -792.464 Base-Backbone interact. energy: -0.438 local terms energy: -818.288411 where: bonds (distance) C4'-P energy: -141.544 bonds (distance) P-C4' energy: -155.056 flat angles C4'-P-C4' energy: -196.511 flat angles P-C4'-P energy: -99.748 tors. eta vs tors. theta energy: -225.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2568.794422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.794422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.794422 (E_RNA) where: Base-Base interactions energy: -1776.047 where: short stacking energy: -730.569 Base-Backbone interact. energy: -2.404 local terms energy: -790.342537 where: bonds (distance) C4'-P energy: -145.116 bonds (distance) P-C4' energy: -168.223 flat angles C4'-P-C4' energy: -174.365 flat angles P-C4'-P energy: -112.532 tors. eta vs tors. theta energy: -190.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2496.784095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.784095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.784095 (E_RNA) where: Base-Base interactions energy: -1720.025 where: short stacking energy: -710.098 Base-Backbone interact. energy: 0.176 local terms energy: -776.935357 where: bonds (distance) C4'-P energy: -144.609 bonds (distance) P-C4' energy: -155.168 flat angles C4'-P-C4' energy: -159.464 flat angles P-C4'-P energy: -128.059 tors. eta vs tors. theta energy: -189.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -2180.051743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.051743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.051743 (E_RNA) where: Base-Base interactions energy: -1459.365 where: short stacking energy: -621.651 Base-Backbone interact. energy: -5.544 local terms energy: -715.142536 where: bonds (distance) C4'-P energy: -141.990 bonds (distance) P-C4' energy: -147.198 flat angles C4'-P-C4' energy: -148.015 flat angles P-C4'-P energy: -113.014 tors. eta vs tors. theta energy: -164.926 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: 8 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -2080.925438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.925438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.925438 (E_RNA) where: Base-Base interactions energy: -1402.885 where: short stacking energy: -615.926 Base-Backbone interact. energy: -3.030 local terms energy: -675.010413 where: bonds (distance) C4'-P energy: -129.078 bonds (distance) P-C4' energy: -140.268 flat angles C4'-P-C4' energy: -144.284 flat angles P-C4'-P energy: -97.943 tors. eta vs tors. theta energy: -163.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1744.179968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.179968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.179968 (E_RNA) where: Base-Base interactions energy: -1118.408 where: short stacking energy: -500.953 Base-Backbone interact. energy: -2.744 local terms energy: -623.027630 where: bonds (distance) C4'-P energy: -134.119 bonds (distance) P-C4' energy: -146.125 flat angles C4'-P-C4' energy: -143.379 flat angles P-C4'-P energy: -98.803 tors. eta vs tors. theta energy: -100.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1430.613330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.613330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.613330 (E_RNA) where: Base-Base interactions energy: -896.916 where: short stacking energy: -414.919 Base-Backbone interact. energy: 3.534 local terms energy: -537.231851 where: bonds (distance) C4'-P energy: -124.944 bonds (distance) P-C4' energy: -155.862 flat angles C4'-P-C4' energy: -120.609 flat angles P-C4'-P energy: -76.878 tors. eta vs tors. theta energy: -58.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -921.720215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.720215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.720215 (E_RNA) where: Base-Base interactions energy: -467.255 where: short stacking energy: -259.019 Base-Backbone interact. energy: 4.163 local terms energy: -458.627735 where: bonds (distance) C4'-P energy: -135.279 bonds (distance) P-C4' energy: -133.978 flat angles C4'-P-C4' energy: -121.193 flat angles P-C4'-P energy: -70.312 tors. eta vs tors. theta energy: 2.134 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: 3 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -3047.365536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.365536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.365536 (E_RNA) where: Base-Base interactions energy: -2156.181 where: short stacking energy: -860.081 Base-Backbone interact. energy: -2.671 local terms energy: -888.514215 where: bonds (distance) C4'-P energy: -147.876 bonds (distance) P-C4' energy: -170.062 flat angles C4'-P-C4' energy: -191.051 flat angles P-C4'-P energy: -139.816 tors. eta vs tors. theta energy: -239.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2808.041378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.041378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.041378 (E_RNA) where: Base-Base interactions energy: -1946.643 where: short stacking energy: -802.409 Base-Backbone interact. energy: -1.347 local terms energy: -860.051479 where: bonds (distance) C4'-P energy: -150.404 bonds (distance) P-C4' energy: -175.963 flat angles C4'-P-C4' energy: -175.628 flat angles P-C4'-P energy: -131.741 tors. eta vs tors. theta energy: -226.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2729.469199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.469199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.469199 (E_RNA) where: Base-Base interactions energy: -1889.623 where: short stacking energy: -774.455 Base-Backbone interact. energy: -2.958 local terms energy: -836.888599 where: bonds (distance) C4'-P energy: -143.485 bonds (distance) P-C4' energy: -174.066 flat angles C4'-P-C4' energy: -186.031 flat angles P-C4'-P energy: -118.532 tors. eta vs tors. theta energy: -214.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2560.821179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.821179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.821179 (E_RNA) where: Base-Base interactions energy: -1777.672 where: short stacking energy: -746.732 Base-Backbone interact. energy: -3.220 local terms energy: -779.928517 where: bonds (distance) C4'-P energy: -157.944 bonds (distance) P-C4' energy: -135.814 flat angles C4'-P-C4' energy: -166.661 flat angles P-C4'-P energy: -122.393 tors. eta vs tors. theta energy: -197.117 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: 4 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2511.659507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.659507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.659507 (E_RNA) where: Base-Base interactions energy: -1748.633 where: short stacking energy: -736.327 Base-Backbone interact. energy: -1.055 local terms energy: -761.971156 where: bonds (distance) C4'-P energy: -132.531 bonds (distance) P-C4' energy: -156.099 flat angles C4'-P-C4' energy: -164.181 flat angles P-C4'-P energy: -103.328 tors. eta vs tors. theta energy: -205.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -2133.830581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.830581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.830581 (E_RNA) where: Base-Base interactions energy: -1407.758 where: short stacking energy: -600.465 Base-Backbone interact. energy: 0.958 local terms energy: -727.030032 where: bonds (distance) C4'-P energy: -144.771 bonds (distance) P-C4' energy: -148.459 flat angles C4'-P-C4' energy: -168.659 flat angles P-C4'-P energy: -103.802 tors. eta vs tors. theta energy: -161.338 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: 8 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -2065.699246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.699246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.699246 (E_RNA) where: Base-Base interactions energy: -1395.057 where: short stacking energy: -591.115 Base-Backbone interact. energy: 1.043 local terms energy: -671.685510 where: bonds (distance) C4'-P energy: -142.383 bonds (distance) P-C4' energy: -118.431 flat angles C4'-P-C4' energy: -165.303 flat angles P-C4'-P energy: -83.082 tors. eta vs tors. theta energy: -162.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1677.972615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.972615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.972615 (E_RNA) where: Base-Base interactions energy: -1094.039 where: short stacking energy: -472.605 Base-Backbone interact. energy: 1.225 local terms energy: -585.158976 where: bonds (distance) C4'-P energy: -126.729 bonds (distance) P-C4' energy: -149.117 flat angles C4'-P-C4' energy: -142.373 flat angles P-C4'-P energy: -67.575 tors. eta vs tors. theta energy: -99.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1398.554862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.554862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.554862 (E_RNA) where: Base-Base interactions energy: -902.322 where: short stacking energy: -418.777 Base-Backbone interact. energy: -3.036 local terms energy: -493.213872 where: bonds (distance) C4'-P energy: -125.098 bonds (distance) P-C4' energy: -124.797 flat angles C4'-P-C4' energy: -115.026 flat angles P-C4'-P energy: -64.566 tors. eta vs tors. theta energy: -63.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.017 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -940.770139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.770139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.770139 (E_RNA) where: Base-Base interactions energy: -477.575 where: short stacking energy: -249.371 Base-Backbone interact. energy: 1.586 local terms energy: -464.781976 where: bonds (distance) C4'-P energy: -110.741 bonds (distance) P-C4' energy: -137.149 flat angles C4'-P-C4' energy: -124.048 flat angles P-C4'-P energy: -89.040 tors. eta vs tors. theta energy: -3.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -3069.985523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.985523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.985523 (E_RNA) where: Base-Base interactions energy: -2176.671 where: short stacking energy: -874.865 Base-Backbone interact. energy: -8.310 local terms energy: -885.004404 where: bonds (distance) C4'-P energy: -159.078 bonds (distance) P-C4' energy: -158.441 flat angles C4'-P-C4' energy: -185.965 flat angles P-C4'-P energy: -137.802 tors. eta vs tors. theta energy: -243.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2828.145669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.145669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.145669 (E_RNA) where: Base-Base interactions energy: -1958.734 where: short stacking energy: -826.408 Base-Backbone interact. energy: -5.473 local terms energy: -863.939477 where: bonds (distance) C4'-P energy: -148.379 bonds (distance) P-C4' energy: -174.249 flat angles C4'-P-C4' energy: -184.018 flat angles P-C4'-P energy: -132.429 tors. eta vs tors. theta energy: -224.865 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: 5 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2705.483278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.483278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.483278 (E_RNA) where: Base-Base interactions energy: -1897.123 where: short stacking energy: -808.064 Base-Backbone interact. energy: -1.100 local terms energy: -807.259950 where: bonds (distance) C4'-P energy: -140.211 bonds (distance) P-C4' energy: -157.686 flat angles C4'-P-C4' energy: -179.115 flat angles P-C4'-P energy: -113.048 tors. eta vs tors. theta energy: -217.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2598.592940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.592940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.592940 (E_RNA) where: Base-Base interactions energy: -1777.110 where: short stacking energy: -753.476 Base-Backbone interact. energy: -1.644 local terms energy: -819.838926 where: bonds (distance) C4'-P energy: -156.712 bonds (distance) P-C4' energy: -165.350 flat angles C4'-P-C4' energy: -161.571 flat angles P-C4'-P energy: -119.118 tors. eta vs tors. theta energy: -217.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2509.753241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.753241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.753241 (E_RNA) where: Base-Base interactions energy: -1722.778 where: short stacking energy: -728.284 Base-Backbone interact. energy: -4.127 local terms energy: -782.848301 where: bonds (distance) C4'-P energy: -156.134 bonds (distance) P-C4' energy: -152.230 flat angles C4'-P-C4' energy: -161.966 flat angles P-C4'-P energy: -103.720 tors. eta vs tors. theta energy: -208.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -2127.955382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.955382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.955382 (E_RNA) where: Base-Base interactions energy: -1451.098 where: short stacking energy: -611.814 Base-Backbone interact. energy: -1.970 local terms energy: -674.886962 where: bonds (distance) C4'-P energy: -133.283 bonds (distance) P-C4' energy: -144.091 flat angles C4'-P-C4' energy: -162.051 flat angles P-C4'-P energy: -105.330 tors. eta vs tors. theta energy: -130.132 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: 8 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -2024.615293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.615293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.615293 (E_RNA) where: Base-Base interactions energy: -1351.986 where: short stacking energy: -583.177 Base-Backbone interact. energy: -1.402 local terms energy: -671.227272 where: bonds (distance) C4'-P energy: -141.047 bonds (distance) P-C4' energy: -164.131 flat angles C4'-P-C4' energy: -132.576 flat angles P-C4'-P energy: -96.820 tors. eta vs tors. theta energy: -136.654 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: 284 Temperature: 1.250000 Total energy: -1727.440996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.440996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.440996 (E_RNA) where: Base-Base interactions energy: -1128.665 where: short stacking energy: -498.416 Base-Backbone interact. energy: -2.661 local terms energy: -596.114879 where: bonds (distance) C4'-P energy: -121.496 bonds (distance) P-C4' energy: -128.937 flat angles C4'-P-C4' energy: -149.421 flat angles P-C4'-P energy: -101.200 tors. eta vs tors. theta energy: -95.061 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: 284 Temperature: 1.300000 Total energy: -1368.736518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.736518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.736518 (E_RNA) where: Base-Base interactions energy: -845.712 where: short stacking energy: -388.472 Base-Backbone interact. energy: -2.627 local terms energy: -520.398425 where: bonds (distance) C4'-P energy: -131.349 bonds (distance) P-C4' energy: -112.732 flat angles C4'-P-C4' energy: -139.072 flat angles P-C4'-P energy: -70.687 tors. eta vs tors. theta energy: -66.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -954.829015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.829015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.829015 (E_RNA) where: Base-Base interactions energy: -502.723 where: short stacking energy: -251.971 Base-Backbone interact. energy: -2.507 local terms energy: -449.598149 where: bonds (distance) C4'-P energy: -128.336 bonds (distance) P-C4' energy: -134.147 flat angles C4'-P-C4' energy: -126.279 flat angles P-C4'-P energy: -65.065 tors. eta vs tors. theta energy: 4.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -3048.408854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.408854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.408854 (E_RNA) where: Base-Base interactions energy: -2179.431 where: short stacking energy: -863.187 Base-Backbone interact. energy: -0.235 local terms energy: -868.742806 where: bonds (distance) C4'-P energy: -142.029 bonds (distance) P-C4' energy: -177.080 flat angles C4'-P-C4' energy: -180.756 flat angles P-C4'-P energy: -134.354 tors. eta vs tors. theta energy: -234.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2816.411995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.411995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.411995 (E_RNA) where: Base-Base interactions energy: -1964.277 where: short stacking energy: -835.553 Base-Backbone interact. energy: 1.737 local terms energy: -853.872473 where: bonds (distance) C4'-P energy: -148.706 bonds (distance) P-C4' energy: -163.576 flat angles C4'-P-C4' energy: -187.274 flat angles P-C4'-P energy: -140.234 tors. eta vs tors. theta energy: -214.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2725.581812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.581812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.581812 (E_RNA) where: Base-Base interactions energy: -1874.152 where: short stacking energy: -801.364 Base-Backbone interact. energy: -1.831 local terms energy: -849.598370 where: bonds (distance) C4'-P energy: -157.311 bonds (distance) P-C4' energy: -167.322 flat angles C4'-P-C4' energy: -181.167 flat angles P-C4'-P energy: -122.691 tors. eta vs tors. theta energy: -221.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2559.375037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.375037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.375037 (E_RNA) where: Base-Base interactions energy: -1800.895 where: short stacking energy: -749.687 Base-Backbone interact. energy: -3.874 local terms energy: -754.606331 where: bonds (distance) C4'-P energy: -131.493 bonds (distance) P-C4' energy: -160.557 flat angles C4'-P-C4' energy: -160.427 flat angles P-C4'-P energy: -110.969 tors. eta vs tors. theta energy: -191.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2469.693678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.693678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.693678 (E_RNA) where: Base-Base interactions energy: -1737.360 where: short stacking energy: -694.532 Base-Backbone interact. energy: -0.540 local terms energy: -731.794267 where: bonds (distance) C4'-P energy: -133.954 bonds (distance) P-C4' energy: -147.293 flat angles C4'-P-C4' energy: -160.803 flat angles P-C4'-P energy: -104.413 tors. eta vs tors. theta energy: -185.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -2148.463428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.463428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.463428 (E_RNA) where: Base-Base interactions energy: -1454.958 where: short stacking energy: -621.704 Base-Backbone interact. energy: -3.015 local terms energy: -690.490634 where: bonds (distance) C4'-P energy: -140.264 bonds (distance) P-C4' energy: -141.795 flat angles C4'-P-C4' energy: -152.322 flat angles P-C4'-P energy: -98.414 tors. eta vs tors. theta energy: -157.696 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: 8 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -2012.266417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.266417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.266417 (E_RNA) where: Base-Base interactions energy: -1327.244 where: short stacking energy: -581.412 Base-Backbone interact. energy: -1.598 local terms energy: -683.424644 where: bonds (distance) C4'-P energy: -140.571 bonds (distance) P-C4' energy: -158.549 flat angles C4'-P-C4' energy: -145.842 flat angles P-C4'-P energy: -91.542 tors. eta vs tors. theta energy: -146.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1679.502623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.502623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.502623 (E_RNA) where: Base-Base interactions energy: -1086.184 where: short stacking energy: -458.154 Base-Backbone interact. energy: 1.275 local terms energy: -594.593518 where: bonds (distance) C4'-P energy: -133.305 bonds (distance) P-C4' energy: -161.345 flat angles C4'-P-C4' energy: -126.128 flat angles P-C4'-P energy: -91.341 tors. eta vs tors. theta energy: -82.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1377.991229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.991229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.991229 (E_RNA) where: Base-Base interactions energy: -840.649 where: short stacking energy: -391.051 Base-Backbone interact. energy: 0.506 local terms energy: -537.847766 where: bonds (distance) C4'-P energy: -135.520 bonds (distance) P-C4' energy: -146.468 flat angles C4'-P-C4' energy: -136.538 flat angles P-C4'-P energy: -58.721 tors. eta vs tors. theta energy: -60.601 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: 10, replica: 10 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -965.679644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.679644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.679644 (E_RNA) where: Base-Base interactions energy: -522.711 where: short stacking energy: -251.389 Base-Backbone interact. energy: -0.869 local terms energy: -442.099569 where: bonds (distance) C4'-P energy: -120.355 bonds (distance) P-C4' energy: -129.101 flat angles C4'-P-C4' energy: -131.025 flat angles P-C4'-P energy: -66.376 tors. eta vs tors. theta energy: 4.757 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: 1, replica: 3 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -3068.186059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.186059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.186059 (E_RNA) where: Base-Base interactions energy: -2186.367 where: short stacking energy: -860.017 Base-Backbone interact. energy: -4.661 local terms energy: -877.158069 where: bonds (distance) C4'-P energy: -150.826 bonds (distance) P-C4' energy: -167.214 flat angles C4'-P-C4' energy: -185.430 flat angles P-C4'-P energy: -136.830 tors. eta vs tors. theta energy: -236.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2812.182708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.182708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.182708 (E_RNA) where: Base-Base interactions energy: -1957.301 where: short stacking energy: -815.554 Base-Backbone interact. energy: -1.209 local terms energy: -853.673334 where: bonds (distance) C4'-P energy: -153.764 bonds (distance) P-C4' energy: -179.765 flat angles C4'-P-C4' energy: -179.963 flat angles P-C4'-P energy: -115.895 tors. eta vs tors. theta energy: -224.286 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: 1 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2730.979436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.979436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.979436 (E_RNA) where: Base-Base interactions energy: -1888.389 where: short stacking energy: -811.100 Base-Backbone interact. energy: -0.618 local terms energy: -841.972344 where: bonds (distance) C4'-P energy: -136.241 bonds (distance) P-C4' energy: -173.334 flat angles C4'-P-C4' energy: -183.529 flat angles P-C4'-P energy: -123.210 tors. eta vs tors. theta energy: -225.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2546.018910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.018910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.018910 (E_RNA) where: Base-Base interactions energy: -1741.176 where: short stacking energy: -742.803 Base-Backbone interact. energy: -3.176 local terms energy: -801.667509 where: bonds (distance) C4'-P energy: -146.156 bonds (distance) P-C4' energy: -152.727 flat angles C4'-P-C4' energy: -185.536 flat angles P-C4'-P energy: -122.279 tors. eta vs tors. theta energy: -194.970 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: 5, replica: 4 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2475.169944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.169944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.169944 (E_RNA) where: Base-Base interactions energy: -1719.765 where: short stacking energy: -723.503 Base-Backbone interact. energy: -3.129 local terms energy: -752.276074 where: bonds (distance) C4'-P energy: -153.197 bonds (distance) P-C4' energy: -159.994 flat angles C4'-P-C4' energy: -153.791 flat angles P-C4'-P energy: -90.198 tors. eta vs tors. theta energy: -195.097 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: 6 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -2171.111849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.111849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.111849 (E_RNA) where: Base-Base interactions energy: -1473.878 where: short stacking energy: -636.338 Base-Backbone interact. energy: -2.926 local terms energy: -694.307468 where: bonds (distance) C4'-P energy: -136.029 bonds (distance) P-C4' energy: -148.170 flat angles C4'-P-C4' energy: -160.701 flat angles P-C4'-P energy: -90.418 tors. eta vs tors. theta energy: -158.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1988.513245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.513245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.513245 (E_RNA) where: Base-Base interactions energy: -1328.006 where: short stacking energy: -619.144 Base-Backbone interact. energy: 0.004 local terms energy: -660.511401 where: bonds (distance) C4'-P energy: -141.643 bonds (distance) P-C4' energy: -145.881 flat angles C4'-P-C4' energy: -136.087 flat angles P-C4'-P energy: -80.327 tors. eta vs tors. theta energy: -156.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1653.061993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.061993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.061993 (E_RNA) where: Base-Base interactions energy: -1039.178 where: short stacking energy: -475.390 Base-Backbone interact. energy: 6.684 local terms energy: -620.568558 where: bonds (distance) C4'-P energy: -126.447 bonds (distance) P-C4' energy: -148.278 flat angles C4'-P-C4' energy: -163.792 flat angles P-C4'-P energy: -84.143 tors. eta vs tors. theta energy: -97.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1434.114480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.114480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.114480 (E_RNA) where: Base-Base interactions energy: -900.584 where: short stacking energy: -402.965 Base-Backbone interact. energy: -3.388 local terms energy: -530.142580 where: bonds (distance) C4'-P energy: -122.349 bonds (distance) P-C4' energy: -128.731 flat angles C4'-P-C4' energy: -136.953 flat angles P-C4'-P energy: -79.532 tors. eta vs tors. theta energy: -62.578 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: 10 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -913.202379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.202379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.202379 (E_RNA) where: Base-Base interactions energy: -473.587 where: short stacking energy: -264.570 Base-Backbone interact. energy: 4.254 local terms energy: -443.869160 where: bonds (distance) C4'-P energy: -129.899 bonds (distance) P-C4' energy: -144.566 flat angles C4'-P-C4' energy: -110.997 flat angles P-C4'-P energy: -50.289 tors. eta vs tors. theta energy: -8.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -3061.636957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.636957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.636957 (E_RNA) where: Base-Base interactions energy: -2186.492 where: short stacking energy: -872.392 Base-Backbone interact. energy: -4.729 local terms energy: -870.416236 where: bonds (distance) C4'-P energy: -153.411 bonds (distance) P-C4' energy: -170.316 flat angles C4'-P-C4' energy: -185.366 flat angles P-C4'-P energy: -119.366 tors. eta vs tors. theta energy: -241.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2812.233796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.233796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.233796 (E_RNA) where: Base-Base interactions energy: -1967.721 where: short stacking energy: -831.235 Base-Backbone interact. energy: -1.191 local terms energy: -843.321666 where: bonds (distance) C4'-P energy: -156.953 bonds (distance) P-C4' energy: -158.514 flat angles C4'-P-C4' energy: -172.964 flat angles P-C4'-P energy: -117.710 tors. eta vs tors. theta energy: -237.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2717.369391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.369391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.369391 (E_RNA) where: Base-Base interactions energy: -1880.319 where: short stacking energy: -802.454 Base-Backbone interact. energy: -7.027 local terms energy: -830.023107 where: bonds (distance) C4'-P energy: -166.833 bonds (distance) P-C4' energy: -172.597 flat angles C4'-P-C4' energy: -171.354 flat angles P-C4'-P energy: -106.564 tors. eta vs tors. theta energy: -212.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2557.255199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.255199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.255199 (E_RNA) where: Base-Base interactions energy: -1759.106 where: short stacking energy: -765.430 Base-Backbone interact. energy: -1.555 local terms energy: -796.594345 where: bonds (distance) C4'-P energy: -133.479 bonds (distance) P-C4' energy: -166.563 flat angles C4'-P-C4' energy: -162.611 flat angles P-C4'-P energy: -126.022 tors. eta vs tors. theta energy: -207.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2462.219027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.219027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.219027 (E_RNA) where: Base-Base interactions energy: -1671.153 where: short stacking energy: -670.332 Base-Backbone interact. energy: -5.449 local terms energy: -785.617334 where: bonds (distance) C4'-P energy: -155.417 bonds (distance) P-C4' energy: -153.745 flat angles C4'-P-C4' energy: -154.622 flat angles P-C4'-P energy: -121.868 tors. eta vs tors. theta energy: -199.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -2277.598338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.598338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.598338 (E_RNA) where: Base-Base interactions energy: -1538.210 where: short stacking energy: -673.537 Base-Backbone interact. energy: -1.356 local terms energy: -738.032182 where: bonds (distance) C4'-P energy: -145.405 bonds (distance) P-C4' energy: -154.615 flat angles C4'-P-C4' energy: -158.604 flat angles P-C4'-P energy: -97.910 tors. eta vs tors. theta energy: -181.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1929.735621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.735621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.735621 (E_RNA) where: Base-Base interactions energy: -1272.529 where: short stacking energy: -544.317 Base-Backbone interact. energy: 1.259 local terms energy: -658.465914 where: bonds (distance) C4'-P energy: -143.959 bonds (distance) P-C4' energy: -156.798 flat angles C4'-P-C4' energy: -139.444 flat angles P-C4'-P energy: -88.678 tors. eta vs tors. theta energy: -129.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1743.895366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.895366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.895366 (E_RNA) where: Base-Base interactions energy: -1112.330 where: short stacking energy: -508.760 Base-Backbone interact. energy: -2.909 local terms energy: -628.656205 where: bonds (distance) C4'-P energy: -122.910 bonds (distance) P-C4' energy: -153.461 flat angles C4'-P-C4' energy: -140.955 flat angles P-C4'-P energy: -97.205 tors. eta vs tors. theta energy: -114.125 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: 287 Temperature: 1.300000 Total energy: -1414.028752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.028752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.028752 (E_RNA) where: Base-Base interactions energy: -888.136 where: short stacking energy: -407.180 Base-Backbone interact. energy: -0.780 local terms energy: -525.112878 where: bonds (distance) C4'-P energy: -122.474 bonds (distance) P-C4' energy: -148.418 flat angles C4'-P-C4' energy: -130.151 flat angles P-C4'-P energy: -71.147 tors. eta vs tors. theta energy: -52.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -1025.857254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.857254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.857254 (E_RNA) where: Base-Base interactions energy: -568.012 where: short stacking energy: -318.377 Base-Backbone interact. energy: 0.896 local terms energy: -458.740924 where: bonds (distance) C4'-P energy: -116.669 bonds (distance) P-C4' energy: -131.784 flat angles C4'-P-C4' energy: -118.852 flat angles P-C4'-P energy: -77.069 tors. eta vs tors. theta energy: -14.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -3053.521547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.521547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.521547 (E_RNA) where: Base-Base interactions energy: -2165.777 where: short stacking energy: -872.644 Base-Backbone interact. energy: -5.865 local terms energy: -881.879965 where: bonds (distance) C4'-P energy: -160.286 bonds (distance) P-C4' energy: -155.292 flat angles C4'-P-C4' energy: -196.403 flat angles P-C4'-P energy: -129.194 tors. eta vs tors. theta energy: -240.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2813.387977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.387977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.387977 (E_RNA) where: Base-Base interactions energy: -1977.832 where: short stacking energy: -840.508 Base-Backbone interact. energy: -1.065 local terms energy: -834.490631 where: bonds (distance) C4'-P energy: -140.558 bonds (distance) P-C4' energy: -181.418 flat angles C4'-P-C4' energy: -182.681 flat angles P-C4'-P energy: -99.966 tors. eta vs tors. theta energy: -229.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2735.772364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.772364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.772364 (E_RNA) where: Base-Base interactions energy: -1907.301 where: short stacking energy: -775.931 Base-Backbone interact. energy: 5.629 local terms energy: -834.099963 where: bonds (distance) C4'-P energy: -156.373 bonds (distance) P-C4' energy: -165.873 flat angles C4'-P-C4' energy: -180.550 flat angles P-C4'-P energy: -113.335 tors. eta vs tors. theta energy: -217.969 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: 288 Temperature: 1.050000 Total energy: -2557.142015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.142015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.142015 (E_RNA) where: Base-Base interactions energy: -1782.898 where: short stacking energy: -745.524 Base-Backbone interact. energy: 0.414 local terms energy: -774.658427 where: bonds (distance) C4'-P energy: -151.906 bonds (distance) P-C4' energy: -162.780 flat angles C4'-P-C4' energy: -173.359 flat angles P-C4'-P energy: -104.265 tors. eta vs tors. theta energy: -182.349 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: 7 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2410.907759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.907759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.907759 (E_RNA) where: Base-Base interactions energy: -1646.885 where: short stacking energy: -682.819 Base-Backbone interact. energy: -4.144 local terms energy: -759.878596 where: bonds (distance) C4'-P energy: -142.813 bonds (distance) P-C4' energy: -177.105 flat angles C4'-P-C4' energy: -162.705 flat angles P-C4'-P energy: -111.426 tors. eta vs tors. theta energy: -165.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -2243.215417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.215417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.215417 (E_RNA) where: Base-Base interactions energy: -1527.872 where: short stacking energy: -659.239 Base-Backbone interact. energy: -2.097 local terms energy: -713.246452 where: bonds (distance) C4'-P energy: -137.649 bonds (distance) P-C4' energy: -128.744 flat angles C4'-P-C4' energy: -165.132 flat angles P-C4'-P energy: -99.609 tors. eta vs tors. theta energy: -182.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1934.010811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.010811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.010811 (E_RNA) where: Base-Base interactions energy: -1307.959 where: short stacking energy: -550.496 Base-Backbone interact. energy: -2.355 local terms energy: -623.696219 where: bonds (distance) C4'-P energy: -119.412 bonds (distance) P-C4' energy: -139.259 flat angles C4'-P-C4' energy: -127.950 flat angles P-C4'-P energy: -106.123 tors. eta vs tors. theta energy: -130.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1670.083371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.083371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.083371 (E_RNA) where: Base-Base interactions energy: -1071.199 where: short stacking energy: -496.579 Base-Backbone interact. energy: -2.168 local terms energy: -596.716475 where: bonds (distance) C4'-P energy: -125.563 bonds (distance) P-C4' energy: -132.910 flat angles C4'-P-C4' energy: -125.652 flat angles P-C4'-P energy: -99.943 tors. eta vs tors. theta energy: -112.649 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: 9, replica: 9 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1460.298322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.298322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.298322 (E_RNA) where: Base-Base interactions energy: -918.438 where: short stacking energy: -423.380 Base-Backbone interact. energy: -0.360 local terms energy: -541.500020 where: bonds (distance) C4'-P energy: -115.346 bonds (distance) P-C4' energy: -132.304 flat angles C4'-P-C4' energy: -130.697 flat angles P-C4'-P energy: -104.496 tors. eta vs tors. theta energy: -58.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -970.659944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.659944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.659944 (E_RNA) where: Base-Base interactions energy: -521.586 where: short stacking energy: -248.959 Base-Backbone interact. energy: 3.107 local terms energy: -452.181053 where: bonds (distance) C4'-P energy: -116.176 bonds (distance) P-C4' energy: -147.758 flat angles C4'-P-C4' energy: -110.337 flat angles P-C4'-P energy: -83.278 tors. eta vs tors. theta energy: 5.367 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: 289 Temperature: 0.900000 Total energy: -3041.593111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.593111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.593111 (E_RNA) where: Base-Base interactions energy: -2132.385 where: short stacking energy: -855.833 Base-Backbone interact. energy: -2.840 local terms energy: -906.367833 where: bonds (distance) C4'-P energy: -166.327 bonds (distance) P-C4' energy: -167.659 flat angles C4'-P-C4' energy: -204.436 flat angles P-C4'-P energy: -125.475 tors. eta vs tors. theta energy: -242.470 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: 2, replica: 1 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2812.325769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.325769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.325769 (E_RNA) where: Base-Base interactions energy: -1959.952 where: short stacking energy: -813.048 Base-Backbone interact. energy: -3.230 local terms energy: -849.143503 where: bonds (distance) C4'-P energy: -160.169 bonds (distance) P-C4' energy: -162.075 flat angles C4'-P-C4' energy: -188.530 flat angles P-C4'-P energy: -114.950 tors. eta vs tors. theta energy: -223.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2723.631160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.631160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.631160 (E_RNA) where: Base-Base interactions energy: -1881.333 where: short stacking energy: -791.867 Base-Backbone interact. energy: -4.138 local terms energy: -838.160283 where: bonds (distance) C4'-P energy: -159.206 bonds (distance) P-C4' energy: -171.566 flat angles C4'-P-C4' energy: -178.770 flat angles P-C4'-P energy: -113.340 tors. eta vs tors. theta energy: -215.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2614.609024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.609024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.609024 (E_RNA) where: Base-Base interactions energy: -1828.149 where: short stacking energy: -755.635 Base-Backbone interact. energy: -3.296 local terms energy: -783.163859 where: bonds (distance) C4'-P energy: -150.499 bonds (distance) P-C4' energy: -151.253 flat angles C4'-P-C4' energy: -163.927 flat angles P-C4'-P energy: -109.493 tors. eta vs tors. theta energy: -207.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2426.058685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.058685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.058685 (E_RNA) where: Base-Base interactions energy: -1665.865 where: short stacking energy: -667.986 Base-Backbone interact. energy: -5.739 local terms energy: -754.453846 where: bonds (distance) C4'-P energy: -147.313 bonds (distance) P-C4' energy: -153.588 flat angles C4'-P-C4' energy: -164.587 flat angles P-C4'-P energy: -109.396 tors. eta vs tors. theta energy: -179.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -2281.496989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.496989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.496989 (E_RNA) where: Base-Base interactions energy: -1588.980 where: short stacking energy: -651.541 Base-Backbone interact. energy: -1.031 local terms energy: -691.485970 where: bonds (distance) C4'-P energy: -111.426 bonds (distance) P-C4' energy: -152.908 flat angles C4'-P-C4' energy: -159.535 flat angles P-C4'-P energy: -97.773 tors. eta vs tors. theta energy: -169.843 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: 8 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1972.923797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.923797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.923797 (E_RNA) where: Base-Base interactions energy: -1359.499 where: short stacking energy: -598.901 Base-Backbone interact. energy: 0.629 local terms energy: -614.053508 where: bonds (distance) C4'-P energy: -118.572 bonds (distance) P-C4' energy: -117.860 flat angles C4'-P-C4' energy: -138.361 flat angles P-C4'-P energy: -98.620 tors. eta vs tors. theta energy: -140.642 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: 2 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1662.052072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.052072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.052072 (E_RNA) where: Base-Base interactions energy: -1054.545 where: short stacking energy: -467.152 Base-Backbone interact. energy: -0.124 local terms energy: -607.382366 where: bonds (distance) C4'-P energy: -141.901 bonds (distance) P-C4' energy: -144.591 flat angles C4'-P-C4' energy: -149.991 flat angles P-C4'-P energy: -81.500 tors. eta vs tors. theta energy: -89.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1487.796754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.796754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.796754 (E_RNA) where: Base-Base interactions energy: -925.899 where: short stacking energy: -430.140 Base-Backbone interact. energy: 7.629 local terms energy: -569.526420 where: bonds (distance) C4'-P energy: -144.237 bonds (distance) P-C4' energy: -150.510 flat angles C4'-P-C4' energy: -135.416 flat angles P-C4'-P energy: -81.257 tors. eta vs tors. theta energy: -58.107 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: 10 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -1008.834818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.834818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.834818 (E_RNA) where: Base-Base interactions energy: -517.780 where: short stacking energy: -274.565 Base-Backbone interact. energy: -0.206 local terms energy: -490.849505 where: bonds (distance) C4'-P energy: -144.923 bonds (distance) P-C4' energy: -153.407 flat angles C4'-P-C4' energy: -119.725 flat angles P-C4'-P energy: -67.417 tors. eta vs tors. theta energy: -5.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -3046.398235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.398235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.398235 (E_RNA) where: Base-Base interactions energy: -2118.649 where: short stacking energy: -838.009 Base-Backbone interact. energy: -6.999 local terms energy: -920.750567 where: bonds (distance) C4'-P energy: -156.087 bonds (distance) P-C4' energy: -182.032 flat angles C4'-P-C4' energy: -204.764 flat angles P-C4'-P energy: -138.737 tors. eta vs tors. theta energy: -239.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2792.520984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.520984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.520984 (E_RNA) where: Base-Base interactions energy: -1923.255 where: short stacking energy: -787.197 Base-Backbone interact. energy: -0.030 local terms energy: -869.236619 where: bonds (distance) C4'-P energy: -163.756 bonds (distance) P-C4' energy: -171.373 flat angles C4'-P-C4' energy: -185.191 flat angles P-C4'-P energy: -135.843 tors. eta vs tors. theta energy: -213.073 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: 3, replica: 5 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2708.227386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.227386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.227386 (E_RNA) where: Base-Base interactions energy: -1876.366 where: short stacking energy: -782.673 Base-Backbone interact. energy: -4.286 local terms energy: -827.574837 where: bonds (distance) C4'-P energy: -155.604 bonds (distance) P-C4' energy: -171.636 flat angles C4'-P-C4' energy: -170.189 flat angles P-C4'-P energy: -118.941 tors. eta vs tors. theta energy: -211.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2577.971663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.971663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.971663 (E_RNA) where: Base-Base interactions energy: -1794.601 where: short stacking energy: -735.402 Base-Backbone interact. energy: -2.005 local terms energy: -781.365852 where: bonds (distance) C4'-P energy: -145.135 bonds (distance) P-C4' energy: -162.978 flat angles C4'-P-C4' energy: -174.305 flat angles P-C4'-P energy: -109.546 tors. eta vs tors. theta energy: -189.403 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: 7 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2439.738943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.738943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.738943 (E_RNA) where: Base-Base interactions energy: -1651.622 where: short stacking energy: -697.526 Base-Backbone interact. energy: -1.635 local terms energy: -786.481795 where: bonds (distance) C4'-P energy: -151.486 bonds (distance) P-C4' energy: -153.745 flat angles C4'-P-C4' energy: -167.252 flat angles P-C4'-P energy: -116.664 tors. eta vs tors. theta energy: -197.334 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: 290 Temperature: 1.150000 Total energy: -2277.492205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.492205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.492205 (E_RNA) where: Base-Base interactions energy: -1579.197 where: short stacking energy: -665.146 Base-Backbone interact. energy: -2.313 local terms energy: -695.981626 where: bonds (distance) C4'-P energy: -111.585 bonds (distance) P-C4' energy: -147.330 flat angles C4'-P-C4' energy: -144.695 flat angles P-C4'-P energy: -113.825 tors. eta vs tors. theta energy: -178.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1984.024061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.024061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.024061 (E_RNA) where: Base-Base interactions energy: -1328.663 where: short stacking energy: -555.186 Base-Backbone interact. energy: -1.202 local terms energy: -654.633351 where: bonds (distance) C4'-P energy: -135.328 bonds (distance) P-C4' energy: -150.785 flat angles C4'-P-C4' energy: -142.372 flat angles P-C4'-P energy: -85.833 tors. eta vs tors. theta energy: -140.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.474 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1676.773791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.773791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.773791 (E_RNA) where: Base-Base interactions energy: -1049.979 where: short stacking energy: -469.035 Base-Backbone interact. energy: -1.869 local terms energy: -624.926083 where: bonds (distance) C4'-P energy: -128.329 bonds (distance) P-C4' energy: -161.680 flat angles C4'-P-C4' energy: -140.108 flat angles P-C4'-P energy: -87.510 tors. eta vs tors. theta energy: -107.299 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: 290 Temperature: 1.300000 Total energy: -1507.010841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.010841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.010841 (E_RNA) where: Base-Base interactions energy: -970.509 where: short stacking energy: -441.473 Base-Backbone interact. energy: -2.753 local terms energy: -533.749209 where: bonds (distance) C4'-P energy: -132.880 bonds (distance) P-C4' energy: -144.040 flat angles C4'-P-C4' energy: -123.102 flat angles P-C4'-P energy: -68.271 tors. eta vs tors. theta energy: -65.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -1006.088644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.088644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.088644 (E_RNA) where: Base-Base interactions energy: -548.905 where: short stacking energy: -289.071 Base-Backbone interact. energy: 5.390 local terms energy: -462.574426 where: bonds (distance) C4'-P energy: -107.116 bonds (distance) P-C4' energy: -150.851 flat angles C4'-P-C4' energy: -117.797 flat angles P-C4'-P energy: -78.201 tors. eta vs tors. theta energy: -8.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -3049.003691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.003691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.003691 (E_RNA) where: Base-Base interactions energy: -2184.174 where: short stacking energy: -862.253 Base-Backbone interact. energy: -4.755 local terms energy: -860.074465 where: bonds (distance) C4'-P energy: -153.814 bonds (distance) P-C4' energy: -161.631 flat angles C4'-P-C4' energy: -198.019 flat angles P-C4'-P energy: -117.626 tors. eta vs tors. theta energy: -228.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2726.430244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.430244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.430244 (E_RNA) where: Base-Base interactions energy: -1903.516 where: short stacking energy: -797.862 Base-Backbone interact. energy: -4.471 local terms energy: -818.443411 where: bonds (distance) C4'-P energy: -155.914 bonds (distance) P-C4' energy: -162.401 flat angles C4'-P-C4' energy: -172.780 flat angles P-C4'-P energy: -124.433 tors. eta vs tors. theta energy: -202.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2710.159827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.159827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.159827 (E_RNA) where: Base-Base interactions energy: -1883.700 where: short stacking energy: -793.696 Base-Backbone interact. energy: -2.932 local terms energy: -823.527981 where: bonds (distance) C4'-P energy: -146.893 bonds (distance) P-C4' energy: -158.105 flat angles C4'-P-C4' energy: -180.643 flat angles P-C4'-P energy: -127.492 tors. eta vs tors. theta energy: -210.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2561.563716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.563716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.563716 (E_RNA) where: Base-Base interactions energy: -1770.144 where: short stacking energy: -734.865 Base-Backbone interact. energy: -6.763 local terms energy: -784.656620 where: bonds (distance) C4'-P energy: -154.291 bonds (distance) P-C4' energy: -154.779 flat angles C4'-P-C4' energy: -177.235 flat angles P-C4'-P energy: -102.624 tors. eta vs tors. theta energy: -195.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2398.291062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.291062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.291062 (E_RNA) where: Base-Base interactions energy: -1643.907 where: short stacking energy: -704.314 Base-Backbone interact. energy: -2.735 local terms energy: -751.649260 where: bonds (distance) C4'-P energy: -131.559 bonds (distance) P-C4' energy: -147.337 flat angles C4'-P-C4' energy: -163.508 flat angles P-C4'-P energy: -99.222 tors. eta vs tors. theta energy: -210.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -2268.085805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.085805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.085805 (E_RNA) where: Base-Base interactions energy: -1554.090 where: short stacking energy: -659.167 Base-Backbone interact. energy: -0.642 local terms energy: -713.353172 where: bonds (distance) C4'-P energy: -138.777 bonds (distance) P-C4' energy: -133.147 flat angles C4'-P-C4' energy: -166.356 flat angles P-C4'-P energy: -101.151 tors. eta vs tors. theta energy: -173.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1978.410798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.410798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.410798 (E_RNA) where: Base-Base interactions energy: -1352.371 where: short stacking energy: -574.333 Base-Backbone interact. energy: -2.776 local terms energy: -623.263511 where: bonds (distance) C4'-P energy: -120.465 bonds (distance) P-C4' energy: -139.240 flat angles C4'-P-C4' energy: -141.470 flat angles P-C4'-P energy: -81.546 tors. eta vs tors. theta energy: -140.543 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: 2 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1699.588536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.588536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.588536 (E_RNA) where: Base-Base interactions energy: -1068.752 where: short stacking energy: -502.240 Base-Backbone interact. energy: 0.664 local terms energy: -631.500390 where: bonds (distance) C4'-P energy: -137.946 bonds (distance) P-C4' energy: -137.541 flat angles C4'-P-C4' energy: -142.647 flat angles P-C4'-P energy: -103.536 tors. eta vs tors. theta energy: -109.829 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: 291 Temperature: 1.300000 Total energy: -1524.990454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.990454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.990454 (E_RNA) where: Base-Base interactions energy: -956.059 where: short stacking energy: -428.361 Base-Backbone interact. energy: 0.262 local terms energy: -569.192926 where: bonds (distance) C4'-P energy: -111.790 bonds (distance) P-C4' energy: -157.167 flat angles C4'-P-C4' energy: -134.067 flat angles P-C4'-P energy: -86.724 tors. eta vs tors. theta energy: -79.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -996.795422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.795422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.795422 (E_RNA) where: Base-Base interactions energy: -552.368 where: short stacking energy: -306.652 Base-Backbone interact. energy: 3.054 local terms energy: -447.481937 where: bonds (distance) C4'-P energy: -118.463 bonds (distance) P-C4' energy: -111.830 flat angles C4'-P-C4' energy: -111.356 flat angles P-C4'-P energy: -78.843 tors. eta vs tors. theta energy: -26.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -3034.022450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.022450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.022450 (E_RNA) where: Base-Base interactions energy: -2140.837 where: short stacking energy: -844.357 Base-Backbone interact. energy: -8.063 local terms energy: -885.122241 where: bonds (distance) C4'-P energy: -159.459 bonds (distance) P-C4' energy: -166.221 flat angles C4'-P-C4' energy: -192.568 flat angles P-C4'-P energy: -137.124 tors. eta vs tors. theta energy: -229.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2751.035725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.035725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.035725 (E_RNA) where: Base-Base interactions energy: -1913.899 where: short stacking energy: -777.367 Base-Backbone interact. energy: -6.738 local terms energy: -830.398340 where: bonds (distance) C4'-P energy: -153.560 bonds (distance) P-C4' energy: -169.558 flat angles C4'-P-C4' energy: -174.455 flat angles P-C4'-P energy: -121.952 tors. eta vs tors. theta energy: -210.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2752.404872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.404872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.404872 (E_RNA) where: Base-Base interactions energy: -1906.169 where: short stacking energy: -811.251 Base-Backbone interact. energy: -3.303 local terms energy: -842.932142 where: bonds (distance) C4'-P energy: -155.469 bonds (distance) P-C4' energy: -166.757 flat angles C4'-P-C4' energy: -193.565 flat angles P-C4'-P energy: -110.612 tors. eta vs tors. theta energy: -216.530 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: 292 Temperature: 1.050000 Total energy: -2550.517767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.517767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.517767 (E_RNA) where: Base-Base interactions energy: -1756.445 where: short stacking energy: -732.052 Base-Backbone interact. energy: -0.555 local terms energy: -793.517587 where: bonds (distance) C4'-P energy: -130.212 bonds (distance) P-C4' energy: -147.835 flat angles C4'-P-C4' energy: -185.641 flat angles P-C4'-P energy: -126.367 tors. eta vs tors. theta energy: -203.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2446.826495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.826495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.826495 (E_RNA) where: Base-Base interactions energy: -1657.170 where: short stacking energy: -724.125 Base-Backbone interact. energy: -4.509 local terms energy: -785.147401 where: bonds (distance) C4'-P energy: -145.754 bonds (distance) P-C4' energy: -168.203 flat angles C4'-P-C4' energy: -163.511 flat angles P-C4'-P energy: -120.462 tors. eta vs tors. theta energy: -187.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -2254.974291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.974291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.974291 (E_RNA) where: Base-Base interactions energy: -1521.993 where: short stacking energy: -620.557 Base-Backbone interact. energy: -0.174 local terms energy: -732.807369 where: bonds (distance) C4'-P energy: -140.374 bonds (distance) P-C4' energy: -162.049 flat angles C4'-P-C4' energy: -153.620 flat angles P-C4'-P energy: -107.624 tors. eta vs tors. theta energy: -169.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -2079.654124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.654124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.654124 (E_RNA) where: Base-Base interactions energy: -1381.672 where: short stacking energy: -587.936 Base-Backbone interact. energy: 0.861 local terms energy: -698.842451 where: bonds (distance) C4'-P energy: -120.074 bonds (distance) P-C4' energy: -165.010 flat angles C4'-P-C4' energy: -149.569 flat angles P-C4'-P energy: -119.843 tors. eta vs tors. theta energy: -144.347 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: 292 Temperature: 1.250000 Total energy: -1682.469127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.469127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.469127 (E_RNA) where: Base-Base interactions energy: -1115.127 where: short stacking energy: -526.323 Base-Backbone interact. energy: -0.451 local terms energy: -566.891023 where: bonds (distance) C4'-P energy: -129.247 bonds (distance) P-C4' energy: -141.998 flat angles C4'-P-C4' energy: -122.742 flat angles P-C4'-P energy: -77.044 tors. eta vs tors. theta energy: -95.861 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: 292 Temperature: 1.300000 Total energy: -1519.135690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.135690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.135690 (E_RNA) where: Base-Base interactions energy: -967.602 where: short stacking energy: -424.137 Base-Backbone interact. energy: -1.833 local terms energy: -549.701187 where: bonds (distance) C4'-P energy: -124.723 bonds (distance) P-C4' energy: -152.978 flat angles C4'-P-C4' energy: -111.623 flat angles P-C4'-P energy: -89.436 tors. eta vs tors. theta energy: -70.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -943.912665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.912665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.912665 (E_RNA) where: Base-Base interactions energy: -541.877 where: short stacking energy: -270.276 Base-Backbone interact. energy: 0.064 local terms energy: -402.099579 where: bonds (distance) C4'-P energy: -108.972 bonds (distance) P-C4' energy: -148.200 flat angles C4'-P-C4' energy: -92.051 flat angles P-C4'-P energy: -58.415 tors. eta vs tors. theta energy: 5.538 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: 3 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -3050.108541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.108541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.108541 (E_RNA) where: Base-Base interactions energy: -2145.894 where: short stacking energy: -855.360 Base-Backbone interact. energy: -6.069 local terms energy: -898.145422 where: bonds (distance) C4'-P energy: -158.817 bonds (distance) P-C4' energy: -175.919 flat angles C4'-P-C4' energy: -185.591 flat angles P-C4'-P energy: -133.198 tors. eta vs tors. theta energy: -244.620 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: 293 Temperature: 0.950000 Total energy: -2787.511111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.511111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.511111 (E_RNA) where: Base-Base interactions energy: -1940.064 where: short stacking energy: -814.278 Base-Backbone interact. energy: -3.103 local terms energy: -844.343721 where: bonds (distance) C4'-P energy: -146.176 bonds (distance) P-C4' energy: -174.819 flat angles C4'-P-C4' energy: -183.855 flat angles P-C4'-P energy: -126.801 tors. eta vs tors. theta energy: -212.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2696.850814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.850814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.850814 (E_RNA) where: Base-Base interactions energy: -1882.319 where: short stacking energy: -782.853 Base-Backbone interact. energy: 0.013 local terms energy: -814.544883 where: bonds (distance) C4'-P energy: -154.987 bonds (distance) P-C4' energy: -169.799 flat angles C4'-P-C4' energy: -166.742 flat angles P-C4'-P energy: -108.696 tors. eta vs tors. theta energy: -214.321 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: 293 Temperature: 1.050000 Total energy: -2528.006949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.006949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.006949 (E_RNA) where: Base-Base interactions energy: -1742.571 where: short stacking energy: -694.999 Base-Backbone interact. energy: -4.891 local terms energy: -780.545556 where: bonds (distance) C4'-P energy: -136.066 bonds (distance) P-C4' energy: -161.570 flat angles C4'-P-C4' energy: -173.980 flat angles P-C4'-P energy: -112.339 tors. eta vs tors. theta energy: -196.590 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: 7 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2471.432750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.432750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.432750 (E_RNA) where: Base-Base interactions energy: -1669.763 where: short stacking energy: -716.641 Base-Backbone interact. energy: -2.640 local terms energy: -799.030284 where: bonds (distance) C4'-P energy: -149.909 bonds (distance) P-C4' energy: -160.528 flat angles C4'-P-C4' energy: -167.871 flat angles P-C4'-P energy: -122.811 tors. eta vs tors. theta energy: -197.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -2243.624233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.624233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.624233 (E_RNA) where: Base-Base interactions energy: -1515.646 where: short stacking energy: -646.879 Base-Backbone interact. energy: -0.874 local terms energy: -727.104471 where: bonds (distance) C4'-P energy: -138.316 bonds (distance) P-C4' energy: -160.549 flat angles C4'-P-C4' energy: -175.035 flat angles P-C4'-P energy: -89.950 tors. eta vs tors. theta energy: -163.254 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: 8 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -2029.844573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.844573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.844573 (E_RNA) where: Base-Base interactions energy: -1355.000 where: short stacking energy: -561.264 Base-Backbone interact. energy: 0.200 local terms energy: -675.044839 where: bonds (distance) C4'-P energy: -141.702 bonds (distance) P-C4' energy: -127.766 flat angles C4'-P-C4' energy: -152.468 flat angles P-C4'-P energy: -103.575 tors. eta vs tors. theta energy: -149.533 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: 2 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1727.730641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.730641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.730641 (E_RNA) where: Base-Base interactions energy: -1134.496 where: short stacking energy: -513.359 Base-Backbone interact. energy: -1.306 local terms energy: -591.928963 where: bonds (distance) C4'-P energy: -115.856 bonds (distance) P-C4' energy: -132.892 flat angles C4'-P-C4' energy: -142.545 flat angles P-C4'-P energy: -93.784 tors. eta vs tors. theta energy: -106.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1501.383366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.383366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.383366 (E_RNA) where: Base-Base interactions energy: -950.331 where: short stacking energy: -404.786 Base-Backbone interact. energy: -0.486 local terms energy: -550.565833 where: bonds (distance) C4'-P energy: -118.948 bonds (distance) P-C4' energy: -167.622 flat angles C4'-P-C4' energy: -135.499 flat angles P-C4'-P energy: -68.929 tors. eta vs tors. theta energy: -59.568 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: 10, replica: 10 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -941.820898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.820898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.820898 (E_RNA) where: Base-Base interactions energy: -452.923 where: short stacking energy: -239.498 Base-Backbone interact. energy: -2.884 local terms energy: -486.014271 where: bonds (distance) C4'-P energy: -133.473 bonds (distance) P-C4' energy: -131.220 flat angles C4'-P-C4' energy: -137.400 flat angles P-C4'-P energy: -83.773 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: 3 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -3076.344693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.344693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.344693 (E_RNA) where: Base-Base interactions energy: -2164.196 where: short stacking energy: -867.821 Base-Backbone interact. energy: -5.751 local terms energy: -906.397985 where: bonds (distance) C4'-P energy: -154.362 bonds (distance) P-C4' energy: -173.031 flat angles C4'-P-C4' energy: -199.207 flat angles P-C4'-P energy: -137.244 tors. eta vs tors. theta energy: -242.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2790.862710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.862710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.862710 (E_RNA) where: Base-Base interactions energy: -1941.058 where: short stacking energy: -817.632 Base-Backbone interact. energy: -4.335 local terms energy: -845.469146 where: bonds (distance) C4'-P energy: -167.291 bonds (distance) P-C4' energy: -166.942 flat angles C4'-P-C4' energy: -179.558 flat angles P-C4'-P energy: -112.180 tors. eta vs tors. theta energy: -219.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2722.233675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.233675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.233675 (E_RNA) where: Base-Base interactions energy: -1906.094 where: short stacking energy: -807.747 Base-Backbone interact. energy: -2.861 local terms energy: -813.278737 where: bonds (distance) C4'-P energy: -147.020 bonds (distance) P-C4' energy: -175.193 flat angles C4'-P-C4' energy: -157.265 flat angles P-C4'-P energy: -113.579 tors. eta vs tors. theta energy: -220.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2532.051374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.051374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.051374 (E_RNA) where: Base-Base interactions energy: -1760.262 where: short stacking energy: -728.258 Base-Backbone interact. energy: -4.192 local terms energy: -767.597476 where: bonds (distance) C4'-P energy: -149.993 bonds (distance) P-C4' energy: -140.299 flat angles C4'-P-C4' energy: -157.638 flat angles P-C4'-P energy: -124.089 tors. eta vs tors. theta energy: -195.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2445.378362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.378362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.378362 (E_RNA) where: Base-Base interactions energy: -1642.183 where: short stacking energy: -671.795 Base-Backbone interact. energy: -4.607 local terms energy: -798.589077 where: bonds (distance) C4'-P energy: -147.233 bonds (distance) P-C4' energy: -166.711 flat angles C4'-P-C4' energy: -178.713 flat angles P-C4'-P energy: -106.271 tors. eta vs tors. theta energy: -199.661 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: 6 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -2270.180141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.180141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.180141 (E_RNA) where: Base-Base interactions energy: -1558.153 where: short stacking energy: -650.313 Base-Backbone interact. energy: -1.793 local terms energy: -710.233963 where: bonds (distance) C4'-P energy: -137.100 bonds (distance) P-C4' energy: -144.534 flat angles C4'-P-C4' energy: -149.887 flat angles P-C4'-P energy: -107.963 tors. eta vs tors. theta energy: -170.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -2086.857801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.857801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.857801 (E_RNA) where: Base-Base interactions energy: -1422.810 where: short stacking energy: -594.446 Base-Backbone interact. energy: -2.764 local terms energy: -661.283383 where: bonds (distance) C4'-P energy: -129.027 bonds (distance) P-C4' energy: -137.619 flat angles C4'-P-C4' energy: -161.000 flat angles P-C4'-P energy: -97.028 tors. eta vs tors. theta energy: -136.609 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: 294 Temperature: 1.250000 Total energy: -1708.055983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.055983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.055983 (E_RNA) where: Base-Base interactions energy: -1067.822 where: short stacking energy: -486.746 Base-Backbone interact. energy: -1.504 local terms energy: -638.729662 where: bonds (distance) C4'-P energy: -109.597 bonds (distance) P-C4' energy: -153.832 flat angles C4'-P-C4' energy: -152.370 flat angles P-C4'-P energy: -112.633 tors. eta vs tors. theta energy: -110.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1529.559403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.559403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.559403 (E_RNA) where: Base-Base interactions energy: -963.079 where: short stacking energy: -448.461 Base-Backbone interact. energy: 4.267 local terms energy: -570.747601 where: bonds (distance) C4'-P energy: -115.452 bonds (distance) P-C4' energy: -142.526 flat angles C4'-P-C4' energy: -129.132 flat angles P-C4'-P energy: -84.432 tors. eta vs tors. theta energy: -99.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -962.317226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.317226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.317226 (E_RNA) where: Base-Base interactions energy: -531.693 where: short stacking energy: -262.232 Base-Backbone interact. energy: -3.712 local terms energy: -426.913052 where: bonds (distance) C4'-P energy: -118.414 bonds (distance) P-C4' energy: -135.290 flat angles C4'-P-C4' energy: -110.057 flat angles P-C4'-P energy: -66.260 tors. eta vs tors. theta energy: 3.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -3069.853199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.853199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.853199 (E_RNA) where: Base-Base interactions energy: -2160.798 where: short stacking energy: -872.763 Base-Backbone interact. energy: -5.222 local terms energy: -903.833782 where: bonds (distance) C4'-P energy: -167.381 bonds (distance) P-C4' energy: -173.089 flat angles C4'-P-C4' energy: -200.259 flat angles P-C4'-P energy: -121.800 tors. eta vs tors. theta energy: -241.304 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: 5 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2823.143654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.143654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.143654 (E_RNA) where: Base-Base interactions energy: -1983.029 where: short stacking energy: -832.749 Base-Backbone interact. energy: -1.177 local terms energy: -838.938035 where: bonds (distance) C4'-P energy: -151.538 bonds (distance) P-C4' energy: -164.596 flat angles C4'-P-C4' energy: -181.678 flat angles P-C4'-P energy: -124.034 tors. eta vs tors. theta energy: -217.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2713.178930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.178930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.178930 (E_RNA) where: Base-Base interactions energy: -1920.525 where: short stacking energy: -782.284 Base-Backbone interact. energy: -2.750 local terms energy: -789.904241 where: bonds (distance) C4'-P energy: -143.518 bonds (distance) P-C4' energy: -147.420 flat angles C4'-P-C4' energy: -172.703 flat angles P-C4'-P energy: -108.018 tors. eta vs tors. theta energy: -218.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2597.194503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.194503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.194503 (E_RNA) where: Base-Base interactions energy: -1786.296 where: short stacking energy: -746.764 Base-Backbone interact. energy: -2.669 local terms energy: -808.230273 where: bonds (distance) C4'-P energy: -129.867 bonds (distance) P-C4' energy: -167.428 flat angles C4'-P-C4' energy: -184.845 flat angles P-C4'-P energy: -111.249 tors. eta vs tors. theta energy: -214.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2440.614158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.614158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.614158 (E_RNA) where: Base-Base interactions energy: -1696.573 where: short stacking energy: -722.166 Base-Backbone interact. energy: -3.203 local terms energy: -740.838103 where: bonds (distance) C4'-P energy: -135.003 bonds (distance) P-C4' energy: -139.177 flat angles C4'-P-C4' energy: -171.558 flat angles P-C4'-P energy: -99.260 tors. eta vs tors. theta energy: -195.840 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: 295 Temperature: 1.150000 Total energy: -2244.289736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.289736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.289736 (E_RNA) where: Base-Base interactions energy: -1524.793 where: short stacking energy: -655.997 Base-Backbone interact. energy: 1.379 local terms energy: -720.875446 where: bonds (distance) C4'-P energy: -130.478 bonds (distance) P-C4' energy: -141.248 flat angles C4'-P-C4' energy: -168.664 flat angles P-C4'-P energy: -110.124 tors. eta vs tors. theta energy: -170.362 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: 8 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -2082.714165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.714165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.714165 (E_RNA) where: Base-Base interactions energy: -1431.340 where: short stacking energy: -589.729 Base-Backbone interact. energy: -1.070 local terms energy: -650.304603 where: bonds (distance) C4'-P energy: -130.352 bonds (distance) P-C4' energy: -151.086 flat angles C4'-P-C4' energy: -150.691 flat angles P-C4'-P energy: -88.867 tors. eta vs tors. theta energy: -129.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1745.040238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.040238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.040238 (E_RNA) where: Base-Base interactions energy: -1117.123 where: short stacking energy: -495.265 Base-Backbone interact. energy: -0.927 local terms energy: -626.990123 where: bonds (distance) C4'-P energy: -133.119 bonds (distance) P-C4' energy: -144.847 flat angles C4'-P-C4' energy: -154.440 flat angles P-C4'-P energy: -94.998 tors. eta vs tors. theta energy: -99.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1550.219882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.219882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.219882 (E_RNA) where: Base-Base interactions energy: -969.397 where: short stacking energy: -443.410 Base-Backbone interact. energy: 3.740 local terms energy: -584.562607 where: bonds (distance) C4'-P energy: -99.593 bonds (distance) P-C4' energy: -161.861 flat angles C4'-P-C4' energy: -147.939 flat angles P-C4'-P energy: -97.880 tors. eta vs tors. theta energy: -77.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -981.402271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.402271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.402271 (E_RNA) where: Base-Base interactions energy: -511.764 where: short stacking energy: -251.843 Base-Backbone interact. energy: 4.222 local terms energy: -473.860609 where: bonds (distance) C4'-P energy: -127.987 bonds (distance) P-C4' energy: -155.998 flat angles C4'-P-C4' energy: -139.495 flat angles P-C4'-P energy: -47.735 tors. eta vs tors. theta energy: -2.645 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: 3 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -3086.343833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.343833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.343833 (E_RNA) where: Base-Base interactions energy: -2208.659 where: short stacking energy: -884.764 Base-Backbone interact. energy: -4.740 local terms energy: -872.944255 where: bonds (distance) C4'-P energy: -162.998 bonds (distance) P-C4' energy: -172.684 flat angles C4'-P-C4' energy: -177.755 flat angles P-C4'-P energy: -117.156 tors. eta vs tors. theta energy: -242.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2795.294128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.294128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.294128 (E_RNA) where: Base-Base interactions energy: -1920.732 where: short stacking energy: -831.530 Base-Backbone interact. energy: -3.552 local terms energy: -871.009912 where: bonds (distance) C4'-P energy: -164.509 bonds (distance) P-C4' energy: -175.926 flat angles C4'-P-C4' energy: -170.478 flat angles P-C4'-P energy: -128.344 tors. eta vs tors. theta energy: -231.753 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: 1 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2706.664453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.664453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.664453 (E_RNA) where: Base-Base interactions energy: -1857.699 where: short stacking energy: -749.429 Base-Backbone interact. energy: -4.029 local terms energy: -844.936453 where: bonds (distance) C4'-P energy: -142.311 bonds (distance) P-C4' energy: -166.952 flat angles C4'-P-C4' energy: -181.707 flat angles P-C4'-P energy: -139.749 tors. eta vs tors. theta energy: -214.217 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: 296 Temperature: 1.050000 Total energy: -2576.521059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.521059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.521059 (E_RNA) where: Base-Base interactions energy: -1791.581 where: short stacking energy: -722.719 Base-Backbone interact. energy: -2.721 local terms energy: -782.219086 where: bonds (distance) C4'-P energy: -127.148 bonds (distance) P-C4' energy: -157.651 flat angles C4'-P-C4' energy: -176.828 flat angles P-C4'-P energy: -115.951 tors. eta vs tors. theta energy: -204.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2417.736136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.736136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.736136 (E_RNA) where: Base-Base interactions energy: -1651.137 where: short stacking energy: -710.311 Base-Backbone interact. energy: -5.711 local terms energy: -760.888071 where: bonds (distance) C4'-P energy: -147.763 bonds (distance) P-C4' energy: -165.426 flat angles C4'-P-C4' energy: -158.332 flat angles P-C4'-P energy: -102.130 tors. eta vs tors. theta energy: -187.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -2209.155894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.155894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.155894 (E_RNA) where: Base-Base interactions energy: -1532.849 where: short stacking energy: -642.049 Base-Backbone interact. energy: -3.047 local terms energy: -673.259273 where: bonds (distance) C4'-P energy: -130.396 bonds (distance) P-C4' energy: -144.698 flat angles C4'-P-C4' energy: -141.915 flat angles P-C4'-P energy: -102.757 tors. eta vs tors. theta energy: -153.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -2107.764052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.764052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.764052 (E_RNA) where: Base-Base interactions energy: -1458.121 where: short stacking energy: -627.912 Base-Backbone interact. energy: -1.136 local terms energy: -648.506328 where: bonds (distance) C4'-P energy: -130.825 bonds (distance) P-C4' energy: -125.029 flat angles C4'-P-C4' energy: -145.702 flat angles P-C4'-P energy: -99.849 tors. eta vs tors. theta energy: -147.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1777.649076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.649076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.649076 (E_RNA) where: Base-Base interactions energy: -1167.110 where: short stacking energy: -503.938 Base-Backbone interact. energy: 3.847 local terms energy: -614.386013 where: bonds (distance) C4'-P energy: -141.800 bonds (distance) P-C4' energy: -162.778 flat angles C4'-P-C4' energy: -127.385 flat angles P-C4'-P energy: -64.222 tors. eta vs tors. theta energy: -118.201 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: 296 Temperature: 1.300000 Total energy: -1464.913496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.913496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.913496 (E_RNA) where: Base-Base interactions energy: -927.388 where: short stacking energy: -396.638 Base-Backbone interact. energy: 1.264 local terms energy: -538.788767 where: bonds (distance) C4'-P energy: -118.997 bonds (distance) P-C4' energy: -133.385 flat angles C4'-P-C4' energy: -123.543 flat angles P-C4'-P energy: -84.222 tors. eta vs tors. theta energy: -78.642 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: 10, replica: 10 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -1012.478609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.478609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.478609 (E_RNA) where: Base-Base interactions energy: -562.838 where: short stacking energy: -274.582 Base-Backbone interact. energy: 4.151 local terms energy: -453.790897 where: bonds (distance) C4'-P energy: -135.858 bonds (distance) P-C4' energy: -148.340 flat angles C4'-P-C4' energy: -112.427 flat angles P-C4'-P energy: -63.309 tors. eta vs tors. theta energy: 6.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -3081.010467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.010467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.010467 (E_RNA) where: Base-Base interactions energy: -2228.276 where: short stacking energy: -888.597 Base-Backbone interact. energy: 0.994 local terms energy: -853.727857 where: bonds (distance) C4'-P energy: -134.352 bonds (distance) P-C4' energy: -169.473 flat angles C4'-P-C4' energy: -192.818 flat angles P-C4'-P energy: -127.411 tors. eta vs tors. theta energy: -229.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2797.615377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.615377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.615377 (E_RNA) where: Base-Base interactions energy: -1956.400 where: short stacking energy: -815.270 Base-Backbone interact. energy: -1.809 local terms energy: -839.406360 where: bonds (distance) C4'-P energy: -148.226 bonds (distance) P-C4' energy: -172.117 flat angles C4'-P-C4' energy: -184.597 flat angles P-C4'-P energy: -119.195 tors. eta vs tors. theta energy: -215.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2717.507121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.507121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.507121 (E_RNA) where: Base-Base interactions energy: -1871.592 where: short stacking energy: -766.507 Base-Backbone interact. energy: -4.573 local terms energy: -841.341849 where: bonds (distance) C4'-P energy: -143.408 bonds (distance) P-C4' energy: -177.086 flat angles C4'-P-C4' energy: -181.719 flat angles P-C4'-P energy: -119.643 tors. eta vs tors. theta energy: -219.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2510.654793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.654793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.654793 (E_RNA) where: Base-Base interactions energy: -1699.915 where: short stacking energy: -727.221 Base-Backbone interact. energy: -2.711 local terms energy: -808.029210 where: bonds (distance) C4'-P energy: -152.716 bonds (distance) P-C4' energy: -166.628 flat angles C4'-P-C4' energy: -191.970 flat angles P-C4'-P energy: -103.828 tors. eta vs tors. theta energy: -192.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2491.497213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.497213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.497213 (E_RNA) where: Base-Base interactions energy: -1722.571 where: short stacking energy: -731.620 Base-Backbone interact. energy: -5.886 local terms energy: -763.039484 where: bonds (distance) C4'-P energy: -132.392 bonds (distance) P-C4' energy: -156.069 flat angles C4'-P-C4' energy: -165.399 flat angles P-C4'-P energy: -106.983 tors. eta vs tors. theta energy: -202.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -2171.584114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.584114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.584114 (E_RNA) where: Base-Base interactions energy: -1468.104 where: short stacking energy: -618.849 Base-Backbone interact. energy: -1.079 local terms energy: -702.401609 where: bonds (distance) C4'-P energy: -145.394 bonds (distance) P-C4' energy: -148.383 flat angles C4'-P-C4' energy: -154.498 flat angles P-C4'-P energy: -104.896 tors. eta vs tors. theta energy: -149.229 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: 7, replica: 6 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -2134.064243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.064243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.064243 (E_RNA) where: Base-Base interactions energy: -1501.304 where: short stacking energy: -641.518 Base-Backbone interact. energy: 3.226 local terms energy: -636.727698 where: bonds (distance) C4'-P energy: -100.578 bonds (distance) P-C4' energy: -140.821 flat angles C4'-P-C4' energy: -149.297 flat angles P-C4'-P energy: -85.554 tors. eta vs tors. theta energy: -160.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.741 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1717.653358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.653358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.653358 (E_RNA) where: Base-Base interactions energy: -1113.481 where: short stacking energy: -494.049 Base-Backbone interact. energy: 1.224 local terms energy: -605.396134 where: bonds (distance) C4'-P energy: -131.563 bonds (distance) P-C4' energy: -145.125 flat angles C4'-P-C4' energy: -140.756 flat angles P-C4'-P energy: -93.800 tors. eta vs tors. theta energy: -94.153 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: 9, replica: 9 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1510.897419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.897419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.897419 (E_RNA) where: Base-Base interactions energy: -963.781 where: short stacking energy: -417.196 Base-Backbone interact. energy: -3.167 local terms energy: -543.948880 where: bonds (distance) C4'-P energy: -119.290 bonds (distance) P-C4' energy: -130.644 flat angles C4'-P-C4' energy: -132.802 flat angles P-C4'-P energy: -78.498 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: 10, replica: 10 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -938.060367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.060367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.060367 (E_RNA) where: Base-Base interactions energy: -503.195 where: short stacking energy: -281.227 Base-Backbone interact. energy: -1.519 local terms energy: -433.345968 where: bonds (distance) C4'-P energy: -122.658 bonds (distance) P-C4' energy: -138.393 flat angles C4'-P-C4' energy: -104.107 flat angles P-C4'-P energy: -64.138 tors. eta vs tors. theta energy: -4.050 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: 1, replica: 3 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -3077.859480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.859480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.859480 (E_RNA) where: Base-Base interactions energy: -2165.482 where: short stacking energy: -856.593 Base-Backbone interact. energy: -4.673 local terms energy: -907.704674 where: bonds (distance) C4'-P energy: -167.866 bonds (distance) P-C4' energy: -183.366 flat angles C4'-P-C4' energy: -188.313 flat angles P-C4'-P energy: -126.347 tors. eta vs tors. theta energy: -241.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2802.463291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.463291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.463291 (E_RNA) where: Base-Base interactions energy: -1940.836 where: short stacking energy: -827.895 Base-Backbone interact. energy: -0.085 local terms energy: -861.541983 where: bonds (distance) C4'-P energy: -154.056 bonds (distance) P-C4' energy: -170.270 flat angles C4'-P-C4' energy: -185.618 flat angles P-C4'-P energy: -122.289 tors. eta vs tors. theta energy: -229.309 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: 1 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2732.393010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.393010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.393010 (E_RNA) where: Base-Base interactions energy: -1905.351 where: short stacking energy: -795.867 Base-Backbone interact. energy: 5.576 local terms energy: -832.618229 where: bonds (distance) C4'-P energy: -154.130 bonds (distance) P-C4' energy: -173.031 flat angles C4'-P-C4' energy: -179.076 flat angles P-C4'-P energy: -114.144 tors. eta vs tors. theta energy: -212.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2559.568855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.568855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.568855 (E_RNA) where: Base-Base interactions energy: -1760.611 where: short stacking energy: -718.857 Base-Backbone interact. energy: -2.530 local terms energy: -796.427517 where: bonds (distance) C4'-P energy: -153.064 bonds (distance) P-C4' energy: -151.830 flat angles C4'-P-C4' energy: -183.021 flat angles P-C4'-P energy: -116.536 tors. eta vs tors. theta energy: -191.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2451.816824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.816824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.816824 (E_RNA) where: Base-Base interactions energy: -1688.115 where: short stacking energy: -702.321 Base-Backbone interact. energy: 1.551 local terms energy: -765.252153 where: bonds (distance) C4'-P energy: -154.351 bonds (distance) P-C4' energy: -154.095 flat angles C4'-P-C4' energy: -152.439 flat angles P-C4'-P energy: -110.672 tors. eta vs tors. theta energy: -193.695 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: 8 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -2176.206681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.206681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.206681 (E_RNA) where: Base-Base interactions energy: -1480.097 where: short stacking energy: -643.694 Base-Backbone interact. energy: -4.219 local terms energy: -691.890473 where: bonds (distance) C4'-P energy: -136.033 bonds (distance) P-C4' energy: -150.172 flat angles C4'-P-C4' energy: -156.915 flat angles P-C4'-P energy: -88.070 tors. eta vs tors. theta energy: -160.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -2099.662581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.662581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.662581 (E_RNA) where: Base-Base interactions energy: -1430.217 where: short stacking energy: -603.493 Base-Backbone interact. energy: -0.262 local terms energy: -669.183951 where: bonds (distance) C4'-P energy: -139.088 bonds (distance) P-C4' energy: -160.163 flat angles C4'-P-C4' energy: -159.278 flat angles P-C4'-P energy: -78.929 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: 8, replica: 2 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1668.440948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.440948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.440948 (E_RNA) where: Base-Base interactions energy: -1070.265 where: short stacking energy: -471.572 Base-Backbone interact. energy: 2.536 local terms energy: -600.711189 where: bonds (distance) C4'-P energy: -124.987 bonds (distance) P-C4' energy: -137.749 flat angles C4'-P-C4' energy: -151.133 flat angles P-C4'-P energy: -84.330 tors. eta vs tors. theta energy: -102.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1532.123417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.123417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.123417 (E_RNA) where: Base-Base interactions energy: -996.337 where: short stacking energy: -441.278 Base-Backbone interact. energy: 4.794 local terms energy: -540.579659 where: bonds (distance) C4'-P energy: -118.939 bonds (distance) P-C4' energy: -126.542 flat angles C4'-P-C4' energy: -130.693 flat angles P-C4'-P energy: -87.281 tors. eta vs tors. theta energy: -77.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -976.383298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.383298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.383298 (E_RNA) where: Base-Base interactions energy: -489.637 where: short stacking energy: -279.749 Base-Backbone interact. energy: 0.622 local terms energy: -487.368015 where: bonds (distance) C4'-P energy: -155.981 bonds (distance) P-C4' energy: -131.816 flat angles C4'-P-C4' energy: -109.107 flat angles P-C4'-P energy: -65.190 tors. eta vs tors. theta energy: -25.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -3070.348289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.348289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.348289 (E_RNA) where: Base-Base interactions energy: -2167.320 where: short stacking energy: -884.290 Base-Backbone interact. energy: -5.819 local terms energy: -897.208710 where: bonds (distance) C4'-P energy: -161.191 bonds (distance) P-C4' energy: -169.074 flat angles C4'-P-C4' energy: -193.076 flat angles P-C4'-P energy: -129.438 tors. eta vs tors. theta energy: -244.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2764.481359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.481359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.481359 (E_RNA) where: Base-Base interactions energy: -1932.179 where: short stacking energy: -821.374 Base-Backbone interact. energy: 0.519 local terms energy: -832.821285 where: bonds (distance) C4'-P energy: -147.411 bonds (distance) P-C4' energy: -168.170 flat angles C4'-P-C4' energy: -179.019 flat angles P-C4'-P energy: -116.254 tors. eta vs tors. theta energy: -221.967 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: 3, replica: 1 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2749.264721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.264721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.264721 (E_RNA) where: Base-Base interactions energy: -1932.345 where: short stacking energy: -796.214 Base-Backbone interact. energy: -4.096 local terms energy: -812.822879 where: bonds (distance) C4'-P energy: -128.347 bonds (distance) P-C4' energy: -165.769 flat angles C4'-P-C4' energy: -175.413 flat angles P-C4'-P energy: -129.258 tors. eta vs tors. theta energy: -214.037 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: 299 Temperature: 1.050000 Total energy: -2587.649125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.649125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.649125 (E_RNA) where: Base-Base interactions energy: -1756.327 where: short stacking energy: -744.036 Base-Backbone interact. energy: -2.974 local terms energy: -828.348173 where: bonds (distance) C4'-P energy: -151.313 bonds (distance) P-C4' energy: -167.071 flat angles C4'-P-C4' energy: -172.849 flat angles P-C4'-P energy: -120.245 tors. eta vs tors. theta energy: -216.870 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: 4 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2494.965620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.965620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.965620 (E_RNA) where: Base-Base interactions energy: -1701.105 where: short stacking energy: -695.212 Base-Backbone interact. energy: -1.777 local terms energy: -792.083308 where: bonds (distance) C4'-P energy: -158.771 bonds (distance) P-C4' energy: -158.187 flat angles C4'-P-C4' energy: -174.450 flat angles P-C4'-P energy: -103.307 tors. eta vs tors. theta energy: -197.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -2195.151244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.151244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.151244 (E_RNA) where: Base-Base interactions energy: -1486.206 where: short stacking energy: -642.634 Base-Backbone interact. energy: -2.373 local terms energy: -706.572316 where: bonds (distance) C4'-P energy: -129.584 bonds (distance) P-C4' energy: -170.243 flat angles C4'-P-C4' energy: -160.832 flat angles P-C4'-P energy: -88.177 tors. eta vs tors. theta energy: -157.736 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: 299 Temperature: 1.200000 Total energy: -2144.990312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.990312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.990312 (E_RNA) where: Base-Base interactions energy: -1461.439 where: short stacking energy: -620.898 Base-Backbone interact. energy: -2.380 local terms energy: -683.592779 where: bonds (distance) C4'-P energy: -146.263 bonds (distance) P-C4' energy: -136.229 flat angles C4'-P-C4' energy: -160.948 flat angles P-C4'-P energy: -92.218 tors. eta vs tors. theta energy: -147.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.421 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1703.430138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.430138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.430138 (E_RNA) where: Base-Base interactions energy: -1095.473 where: short stacking energy: -468.021 Base-Backbone interact. energy: 4.555 local terms energy: -612.511920 where: bonds (distance) C4'-P energy: -149.637 bonds (distance) P-C4' energy: -130.119 flat angles C4'-P-C4' energy: -154.337 flat angles P-C4'-P energy: -88.484 tors. eta vs tors. theta energy: -89.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1569.488705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.488705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.488705 (E_RNA) where: Base-Base interactions energy: -985.780 where: short stacking energy: -415.741 Base-Backbone interact. energy: -1.935 local terms energy: -581.772987 where: bonds (distance) C4'-P energy: -129.117 bonds (distance) P-C4' energy: -160.929 flat angles C4'-P-C4' energy: -114.195 flat angles P-C4'-P energy: -101.337 tors. eta vs tors. theta energy: -76.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -993.860573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.860573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.860573 (E_RNA) where: Base-Base interactions energy: -532.419 where: short stacking energy: -284.630 Base-Backbone interact. energy: -2.115 local terms energy: -459.326792 where: bonds (distance) C4'-P energy: -123.980 bonds (distance) P-C4' energy: -135.909 flat angles C4'-P-C4' energy: -128.175 flat angles P-C4'-P energy: -74.540 tors. eta vs tors. theta energy: 3.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -3051.647693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.647693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.647693 (E_RNA) where: Base-Base interactions energy: -2142.363 where: short stacking energy: -849.898 Base-Backbone interact. energy: -2.062 local terms energy: -907.223452 where: bonds (distance) C4'-P energy: -167.545 bonds (distance) P-C4' energy: -173.291 flat angles C4'-P-C4' energy: -185.215 flat angles P-C4'-P energy: -134.816 tors. eta vs tors. theta energy: -246.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2784.835932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.835932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.835932 (E_RNA) where: Base-Base interactions energy: -1940.732 where: short stacking energy: -810.997 Base-Backbone interact. energy: -6.380 local terms energy: -837.724225 where: bonds (distance) C4'-P energy: -139.630 bonds (distance) P-C4' energy: -173.554 flat angles C4'-P-C4' energy: -177.530 flat angles P-C4'-P energy: -120.953 tors. eta vs tors. theta energy: -226.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2731.659076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.659076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.659076 (E_RNA) where: Base-Base interactions energy: -1882.485 where: short stacking energy: -769.079 Base-Backbone interact. energy: -3.843 local terms energy: -845.331435 where: bonds (distance) C4'-P energy: -156.404 bonds (distance) P-C4' energy: -175.395 flat angles C4'-P-C4' energy: -165.612 flat angles P-C4'-P energy: -138.290 tors. eta vs tors. theta energy: -209.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2612.105880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.105880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.105880 (E_RNA) where: Base-Base interactions energy: -1813.763 where: short stacking energy: -755.206 Base-Backbone interact. energy: -2.809 local terms energy: -795.533203 where: bonds (distance) C4'-P energy: -147.706 bonds (distance) P-C4' energy: -155.649 flat angles C4'-P-C4' energy: -165.191 flat angles P-C4'-P energy: -116.827 tors. eta vs tors. theta energy: -210.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2478.096862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.096862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.096862 (E_RNA) where: Base-Base interactions energy: -1693.157 where: short stacking energy: -720.129 Base-Backbone interact. energy: 1.013 local terms energy: -785.952515 where: bonds (distance) C4'-P energy: -149.886 bonds (distance) P-C4' energy: -152.063 flat angles C4'-P-C4' energy: -159.223 flat angles P-C4'-P energy: -118.796 tors. eta vs tors. theta energy: -205.985 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: 8 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -2185.084206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.084206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.084206 (E_RNA) where: Base-Base interactions energy: -1473.364 where: short stacking energy: -638.816 Base-Backbone interact. energy: 1.558 local terms energy: -713.278578 where: bonds (distance) C4'-P energy: -151.151 bonds (distance) P-C4' energy: -140.844 flat angles C4'-P-C4' energy: -158.872 flat angles P-C4'-P energy: -104.141 tors. eta vs tors. theta energy: -158.271 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: 300 Temperature: 1.200000 Total energy: -2133.321110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.321110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.321110 (E_RNA) where: Base-Base interactions energy: -1424.435 where: short stacking energy: -593.682 Base-Backbone interact. energy: -2.063 local terms energy: -707.145245 where: bonds (distance) C4'-P energy: -134.465 bonds (distance) P-C4' energy: -150.743 flat angles C4'-P-C4' energy: -152.191 flat angles P-C4'-P energy: -105.258 tors. eta vs tors. theta energy: -164.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.322 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1746.244039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.244039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.244039 (E_RNA) where: Base-Base interactions energy: -1144.382 where: short stacking energy: -541.950 Base-Backbone interact. energy: -2.743 local terms energy: -599.118129 where: bonds (distance) C4'-P energy: -130.371 bonds (distance) P-C4' energy: -146.210 flat angles C4'-P-C4' energy: -140.969 flat angles P-C4'-P energy: -76.632 tors. eta vs tors. theta energy: -104.936 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: 300 Temperature: 1.300000 Total energy: -1506.469792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.469792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.469792 (E_RNA) where: Base-Base interactions energy: -943.027 where: short stacking energy: -427.267 Base-Backbone interact. energy: -1.315 local terms energy: -562.128263 where: bonds (distance) C4'-P energy: -112.474 bonds (distance) P-C4' energy: -154.580 flat angles C4'-P-C4' energy: -126.977 flat angles P-C4'-P energy: -92.214 tors. eta vs tors. theta energy: -75.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -961.684755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.684755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.684755 (E_RNA) where: Base-Base interactions energy: -505.099 where: short stacking energy: -253.209 Base-Backbone interact. energy: 0.877 local terms energy: -457.463110 where: bonds (distance) C4'-P energy: -128.634 bonds (distance) P-C4' energy: -123.424 flat angles C4'-P-C4' energy: -144.214 flat angles P-C4'-P energy: -62.470 tors. eta vs tors. theta energy: 1.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -3063.007459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.007459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.007459 (E_RNA) where: Base-Base interactions energy: -2172.470 where: short stacking energy: -863.254 Base-Backbone interact. energy: 0.120 local terms energy: -890.657924 where: bonds (distance) C4'-P energy: -166.732 bonds (distance) P-C4' energy: -165.803 flat angles C4'-P-C4' energy: -192.971 flat angles P-C4'-P energy: -130.087 tors. eta vs tors. theta energy: -235.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2774.635032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.635032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.635032 (E_RNA) where: Base-Base interactions energy: -1904.789 where: short stacking energy: -801.647 Base-Backbone interact. energy: -2.130 local terms energy: -867.715260 where: bonds (distance) C4'-P energy: -158.959 bonds (distance) P-C4' energy: -183.420 flat angles C4'-P-C4' energy: -190.625 flat angles P-C4'-P energy: -115.713 tors. eta vs tors. theta energy: -218.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2745.499291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.499291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.499291 (E_RNA) where: Base-Base interactions energy: -1910.814 where: short stacking energy: -804.736 Base-Backbone interact. energy: -6.424 local terms energy: -828.260953 where: bonds (distance) C4'-P energy: -143.799 bonds (distance) P-C4' energy: -164.544 flat angles C4'-P-C4' energy: -177.670 flat angles P-C4'-P energy: -112.505 tors. eta vs tors. theta energy: -229.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2656.379389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.379389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.379389 (E_RNA) where: Base-Base interactions energy: -1840.181 where: short stacking energy: -782.838 Base-Backbone interact. energy: -0.797 local terms energy: -815.401215 where: bonds (distance) C4'-P energy: -143.248 bonds (distance) P-C4' energy: -175.948 flat angles C4'-P-C4' energy: -173.169 flat angles P-C4'-P energy: -112.073 tors. eta vs tors. theta energy: -210.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2421.341734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.341734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.341734 (E_RNA) where: Base-Base interactions energy: -1660.706 where: short stacking energy: -668.992 Base-Backbone interact. energy: -4.062 local terms energy: -756.574486 where: bonds (distance) C4'-P energy: -157.987 bonds (distance) P-C4' energy: -151.395 flat angles C4'-P-C4' energy: -161.758 flat angles P-C4'-P energy: -109.251 tors. eta vs tors. theta energy: -176.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -2232.080838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.080838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.080838 (E_RNA) where: Base-Base interactions energy: -1500.992 where: short stacking energy: -649.359 Base-Backbone interact. energy: -3.184 local terms energy: -727.905174 where: bonds (distance) C4'-P energy: -141.169 bonds (distance) P-C4' energy: -157.519 flat angles C4'-P-C4' energy: -152.926 flat angles P-C4'-P energy: -114.823 tors. eta vs tors. theta energy: -161.468 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: 301 Temperature: 1.200000 Total energy: -2175.758396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.758396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.758396 (E_RNA) where: Base-Base interactions energy: -1483.702 where: short stacking energy: -643.009 Base-Backbone interact. energy: -1.117 local terms energy: -691.379000 where: bonds (distance) C4'-P energy: -150.480 bonds (distance) P-C4' energy: -146.161 flat angles C4'-P-C4' energy: -138.517 flat angles P-C4'-P energy: -87.497 tors. eta vs tors. theta energy: -168.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.439 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1695.213087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.213087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.213087 (E_RNA) where: Base-Base interactions energy: -1088.248 where: short stacking energy: -512.573 Base-Backbone interact. energy: 6.742 local terms energy: -613.706882 where: bonds (distance) C4'-P energy: -134.775 bonds (distance) P-C4' energy: -147.723 flat angles C4'-P-C4' energy: -147.497 flat angles P-C4'-P energy: -84.541 tors. eta vs tors. theta energy: -99.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -1500.089648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.089648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.089648 (E_RNA) where: Base-Base interactions energy: -931.152 where: short stacking energy: -424.014 Base-Backbone interact. energy: -1.704 local terms energy: -567.233302 where: bonds (distance) C4'-P energy: -124.327 bonds (distance) P-C4' energy: -147.977 flat angles C4'-P-C4' energy: -150.230 flat angles P-C4'-P energy: -70.641 tors. eta vs tors. theta energy: -74.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -937.029635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.029635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.029635 (E_RNA) where: Base-Base interactions energy: -501.590 where: short stacking energy: -287.199 Base-Backbone interact. energy: 3.023 local terms energy: -438.461870 where: bonds (distance) C4'-P energy: -139.274 bonds (distance) P-C4' energy: -125.317 flat angles C4'-P-C4' energy: -114.022 flat angles P-C4'-P energy: -57.852 tors. eta vs tors. theta energy: -1.997 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: 3 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -3057.135499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.135499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.135499 (E_RNA) where: Base-Base interactions energy: -2166.951 where: short stacking energy: -835.154 Base-Backbone interact. energy: -5.084 local terms energy: -885.100801 where: bonds (distance) C4'-P energy: -161.334 bonds (distance) P-C4' energy: -166.558 flat angles C4'-P-C4' energy: -190.571 flat angles P-C4'-P energy: -128.246 tors. eta vs tors. theta energy: -238.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2796.629508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.629508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.629508 (E_RNA) where: Base-Base interactions energy: -1944.353 where: short stacking energy: -808.025 Base-Backbone interact. energy: -2.555 local terms energy: -849.721239 where: bonds (distance) C4'-P energy: -152.571 bonds (distance) P-C4' energy: -174.718 flat angles C4'-P-C4' energy: -183.012 flat angles P-C4'-P energy: -123.230 tors. eta vs tors. theta energy: -216.190 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: 3, replica: 1 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2776.761355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.761355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.761355 (E_RNA) where: Base-Base interactions energy: -1941.804 where: short stacking energy: -809.165 Base-Backbone interact. energy: -5.072 local terms energy: -829.885686 where: bonds (distance) C4'-P energy: -129.161 bonds (distance) P-C4' energy: -170.111 flat angles C4'-P-C4' energy: -190.528 flat angles P-C4'-P energy: -117.248 tors. eta vs tors. theta energy: -222.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2648.899536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.899536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.899536 (E_RNA) where: Base-Base interactions energy: -1824.622 where: short stacking energy: -761.371 Base-Backbone interact. energy: -2.533 local terms energy: -821.744435 where: bonds (distance) C4'-P energy: -138.693 bonds (distance) P-C4' energy: -166.678 flat angles C4'-P-C4' energy: -176.382 flat angles P-C4'-P energy: -123.611 tors. eta vs tors. theta energy: -216.380 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: 4 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2453.974378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.974378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.974378 (E_RNA) where: Base-Base interactions energy: -1728.912 where: short stacking energy: -700.182 Base-Backbone interact. energy: -2.719 local terms energy: -722.342858 where: bonds (distance) C4'-P energy: -137.298 bonds (distance) P-C4' energy: -136.210 flat angles C4'-P-C4' energy: -170.003 flat angles P-C4'-P energy: -93.168 tors. eta vs tors. theta energy: -185.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -2193.810613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.810613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.810613 (E_RNA) where: Base-Base interactions energy: -1471.950 where: short stacking energy: -629.563 Base-Backbone interact. energy: -2.407 local terms energy: -720.912287 where: bonds (distance) C4'-P energy: -133.967 bonds (distance) P-C4' energy: -150.046 flat angles C4'-P-C4' energy: -177.924 flat angles P-C4'-P energy: -104.011 tors. eta vs tors. theta energy: -154.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.458 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -2123.540558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.540558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.540558 (E_RNA) where: Base-Base interactions energy: -1454.754 where: short stacking energy: -626.513 Base-Backbone interact. energy: -1.886 local terms energy: -668.908071 where: bonds (distance) C4'-P energy: -120.293 bonds (distance) P-C4' energy: -156.664 flat angles C4'-P-C4' energy: -150.752 flat angles P-C4'-P energy: -99.592 tors. eta vs tors. theta energy: -141.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.008 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1600.447027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.447027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.447027 (E_RNA) where: Base-Base interactions energy: -1014.102 where: short stacking energy: -459.045 Base-Backbone interact. energy: -0.952 local terms energy: -585.393672 where: bonds (distance) C4'-P energy: -124.377 bonds (distance) P-C4' energy: -142.994 flat angles C4'-P-C4' energy: -146.796 flat angles P-C4'-P energy: -87.260 tors. eta vs tors. theta energy: -83.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1448.214607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.214607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.214607 (E_RNA) where: Base-Base interactions energy: -914.819 where: short stacking energy: -407.950 Base-Backbone interact. energy: 5.632 local terms energy: -539.027794 where: bonds (distance) C4'-P energy: -105.943 bonds (distance) P-C4' energy: -136.750 flat angles C4'-P-C4' energy: -118.358 flat angles P-C4'-P energy: -103.448 tors. eta vs tors. theta energy: -74.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -966.838881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.838881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.838881 (E_RNA) where: Base-Base interactions energy: -519.511 where: short stacking energy: -278.159 Base-Backbone interact. energy: 3.757 local terms energy: -451.085404 where: bonds (distance) C4'-P energy: -129.071 bonds (distance) P-C4' energy: -144.147 flat angles C4'-P-C4' energy: -97.835 flat angles P-C4'-P energy: -85.845 tors. eta vs tors. theta energy: 5.813 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: 1, replica: 3 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -3076.453399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.453399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.453399 (E_RNA) where: Base-Base interactions energy: -2182.595 where: short stacking energy: -853.409 Base-Backbone interact. energy: -1.763 local terms energy: -892.095530 where: bonds (distance) C4'-P energy: -154.846 bonds (distance) P-C4' energy: -180.810 flat angles C4'-P-C4' energy: -186.970 flat angles P-C4'-P energy: -130.741 tors. eta vs tors. theta energy: -238.728 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: 5 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2780.757911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.757911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.757911 (E_RNA) where: Base-Base interactions energy: -1910.502 where: short stacking energy: -783.369 Base-Backbone interact. energy: -5.966 local terms energy: -864.289561 where: bonds (distance) C4'-P energy: -162.568 bonds (distance) P-C4' energy: -179.583 flat angles C4'-P-C4' energy: -178.017 flat angles P-C4'-P energy: -126.530 tors. eta vs tors. theta energy: -217.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2682.922663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.922663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.922663 (E_RNA) where: Base-Base interactions energy: -1851.346 where: short stacking energy: -789.784 Base-Backbone interact. energy: -5.124 local terms energy: -826.452845 where: bonds (distance) C4'-P energy: -138.429 bonds (distance) P-C4' energy: -172.419 flat angles C4'-P-C4' energy: -178.393 flat angles P-C4'-P energy: -114.800 tors. eta vs tors. theta energy: -222.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2643.704991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.704991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.704991 (E_RNA) where: Base-Base interactions energy: -1824.700 where: short stacking energy: -760.330 Base-Backbone interact. energy: 5.332 local terms energy: -824.336440 where: bonds (distance) C4'-P energy: -151.148 bonds (distance) P-C4' energy: -169.990 flat angles C4'-P-C4' energy: -168.862 flat angles P-C4'-P energy: -118.222 tors. eta vs tors. theta energy: -216.116 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: 4 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2436.789644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.789644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.789644 (E_RNA) where: Base-Base interactions energy: -1719.337 where: short stacking energy: -725.662 Base-Backbone interact. energy: -0.976 local terms energy: -716.476482 where: bonds (distance) C4'-P energy: -130.638 bonds (distance) P-C4' energy: -126.337 flat angles C4'-P-C4' energy: -163.135 flat angles P-C4'-P energy: -95.021 tors. eta vs tors. theta energy: -201.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -2228.390937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.390937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.390937 (E_RNA) where: Base-Base interactions energy: -1531.271 where: short stacking energy: -650.936 Base-Backbone interact. energy: -4.802 local terms energy: -692.317559 where: bonds (distance) C4'-P energy: -136.141 bonds (distance) P-C4' energy: -126.525 flat angles C4'-P-C4' energy: -145.369 flat angles P-C4'-P energy: -107.701 tors. eta vs tors. theta energy: -176.582 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: 303 Temperature: 1.200000 Total energy: -2177.771689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.771689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.771689 (E_RNA) where: Base-Base interactions energy: -1486.763 where: short stacking energy: -630.566 Base-Backbone interact. energy: 2.045 local terms energy: -693.054063 where: bonds (distance) C4'-P energy: -151.259 bonds (distance) P-C4' energy: -139.831 flat angles C4'-P-C4' energy: -137.376 flat angles P-C4'-P energy: -110.250 tors. eta vs tors. theta energy: -154.337 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: 2 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1713.446208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.446208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.446208 (E_RNA) where: Base-Base interactions energy: -1078.513 where: short stacking energy: -461.676 Base-Backbone interact. energy: -2.804 local terms energy: -632.129152 where: bonds (distance) C4'-P energy: -139.913 bonds (distance) P-C4' energy: -171.584 flat angles C4'-P-C4' energy: -135.395 flat angles P-C4'-P energy: -86.908 tors. eta vs tors. theta energy: -98.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1479.932000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.932000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.932000 (E_RNA) where: Base-Base interactions energy: -933.851 where: short stacking energy: -432.022 Base-Backbone interact. energy: -2.251 local terms energy: -543.830295 where: bonds (distance) C4'-P energy: -127.726 bonds (distance) P-C4' energy: -143.282 flat angles C4'-P-C4' energy: -121.305 flat angles P-C4'-P energy: -88.176 tors. eta vs tors. theta energy: -63.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -918.800421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.800421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.800421 (E_RNA) where: Base-Base interactions energy: -451.179 where: short stacking energy: -260.695 Base-Backbone interact. energy: -3.451 local terms energy: -464.170998 where: bonds (distance) C4'-P energy: -129.330 bonds (distance) P-C4' energy: -140.454 flat angles C4'-P-C4' energy: -119.160 flat angles P-C4'-P energy: -64.837 tors. eta vs tors. theta energy: -10.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -3073.419653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.419653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.419653 (E_RNA) where: Base-Base interactions energy: -2197.815 where: short stacking energy: -858.804 Base-Backbone interact. energy: -10.686 local terms energy: -864.918322 where: bonds (distance) C4'-P energy: -155.735 bonds (distance) P-C4' energy: -175.385 flat angles C4'-P-C4' energy: -179.042 flat angles P-C4'-P energy: -114.838 tors. eta vs tors. theta energy: -239.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2816.169414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.169414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.169414 (E_RNA) where: Base-Base interactions energy: -1972.368 where: short stacking energy: -825.315 Base-Backbone interact. energy: -3.637 local terms energy: -840.164571 where: bonds (distance) C4'-P energy: -163.979 bonds (distance) P-C4' energy: -163.482 flat angles C4'-P-C4' energy: -172.868 flat angles P-C4'-P energy: -108.608 tors. eta vs tors. theta energy: -231.228 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: 3, replica: 7 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2693.424851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.424851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.424851 (E_RNA) where: Base-Base interactions energy: -1888.639 where: short stacking energy: -784.620 Base-Backbone interact. energy: -3.215 local terms energy: -801.570702 where: bonds (distance) C4'-P energy: -139.720 bonds (distance) P-C4' energy: -170.785 flat angles C4'-P-C4' energy: -166.402 flat angles P-C4'-P energy: -116.823 tors. eta vs tors. theta energy: -207.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2635.528508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.528508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.528508 (E_RNA) where: Base-Base interactions energy: -1849.122 where: short stacking energy: -769.383 Base-Backbone interact. energy: -4.356 local terms energy: -782.050450 where: bonds (distance) C4'-P energy: -146.997 bonds (distance) P-C4' energy: -153.784 flat angles C4'-P-C4' energy: -161.052 flat angles P-C4'-P energy: -106.026 tors. eta vs tors. theta energy: -214.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2423.507796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.507796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.507796 (E_RNA) where: Base-Base interactions energy: -1663.298 where: short stacking energy: -688.506 Base-Backbone interact. energy: -1.532 local terms energy: -758.678450 where: bonds (distance) C4'-P energy: -140.149 bonds (distance) P-C4' energy: -155.170 flat angles C4'-P-C4' energy: -160.711 flat angles P-C4'-P energy: -119.267 tors. eta vs tors. theta energy: -183.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -2257.896802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.896802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.896802 (E_RNA) where: Base-Base interactions energy: -1538.981 where: short stacking energy: -634.587 Base-Backbone interact. energy: -3.060 local terms energy: -715.855696 where: bonds (distance) C4'-P energy: -154.536 bonds (distance) P-C4' energy: -133.720 flat angles C4'-P-C4' energy: -163.918 flat angles P-C4'-P energy: -103.858 tors. eta vs tors. theta energy: -159.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -2137.403446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.403446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.403446 (E_RNA) where: Base-Base interactions energy: -1463.459 where: short stacking energy: -604.074 Base-Backbone interact. energy: 2.265 local terms energy: -676.209555 where: bonds (distance) C4'-P energy: -124.935 bonds (distance) P-C4' energy: -139.404 flat angles C4'-P-C4' energy: -165.484 flat angles P-C4'-P energy: -93.614 tors. eta vs tors. theta energy: -152.772 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: 2 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1720.461123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.461123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.461123 (E_RNA) where: Base-Base interactions energy: -1098.733 where: short stacking energy: -504.043 Base-Backbone interact. energy: -1.552 local terms energy: -620.176449 where: bonds (distance) C4'-P energy: -125.493 bonds (distance) P-C4' energy: -142.620 flat angles C4'-P-C4' energy: -127.066 flat angles P-C4'-P energy: -107.666 tors. eta vs tors. theta energy: -117.332 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: 304 Temperature: 1.300000 Total energy: -1563.415456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.415456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.415456 (E_RNA) where: Base-Base interactions energy: -992.599 where: short stacking energy: -454.622 Base-Backbone interact. energy: -4.674 local terms energy: -566.143390 where: bonds (distance) C4'-P energy: -136.965 bonds (distance) P-C4' energy: -144.349 flat angles C4'-P-C4' energy: -135.988 flat angles P-C4'-P energy: -69.597 tors. eta vs tors. theta energy: -79.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -905.339503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.339503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.339503 (E_RNA) where: Base-Base interactions energy: -476.212 where: short stacking energy: -235.737 Base-Backbone interact. energy: 3.168 local terms energy: -432.295231 where: bonds (distance) C4'-P energy: -125.674 bonds (distance) P-C4' energy: -157.072 flat angles C4'-P-C4' energy: -111.797 flat angles P-C4'-P energy: -47.779 tors. eta vs tors. theta energy: 10.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -3070.723627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.723627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.723627 (E_RNA) where: Base-Base interactions energy: -2172.657 where: short stacking energy: -858.438 Base-Backbone interact. energy: -0.993 local terms energy: -897.073157 where: bonds (distance) C4'-P energy: -163.801 bonds (distance) P-C4' energy: -179.835 flat angles C4'-P-C4' energy: -187.935 flat angles P-C4'-P energy: -134.431 tors. eta vs tors. theta energy: -231.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2841.744162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.744162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.744162 (E_RNA) where: Base-Base interactions energy: -1976.198 where: short stacking energy: -808.346 Base-Backbone interact. energy: 1.929 local terms energy: -867.475327 where: bonds (distance) C4'-P energy: -149.407 bonds (distance) P-C4' energy: -175.061 flat angles C4'-P-C4' energy: -192.767 flat angles P-C4'-P energy: -128.213 tors. eta vs tors. theta energy: -222.027 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: 7 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2655.518478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.518478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.518478 (E_RNA) where: Base-Base interactions energy: -1859.762 where: short stacking energy: -784.599 Base-Backbone interact. energy: -6.502 local terms energy: -789.254882 where: bonds (distance) C4'-P energy: -154.897 bonds (distance) P-C4' energy: -145.065 flat angles C4'-P-C4' energy: -179.778 flat angles P-C4'-P energy: -115.159 tors. eta vs tors. theta energy: -194.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2600.513745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.513745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.513745 (E_RNA) where: Base-Base interactions energy: -1796.391 where: short stacking energy: -755.817 Base-Backbone interact. energy: -0.530 local terms energy: -803.592762 where: bonds (distance) C4'-P energy: -138.099 bonds (distance) P-C4' energy: -171.556 flat angles C4'-P-C4' energy: -176.462 flat angles P-C4'-P energy: -112.236 tors. eta vs tors. theta energy: -205.240 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: 305 Temperature: 1.100000 Total energy: -2458.054107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.054107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.054107 (E_RNA) where: Base-Base interactions energy: -1681.519 where: short stacking energy: -701.200 Base-Backbone interact. energy: -2.120 local terms energy: -774.414307 where: bonds (distance) C4'-P energy: -140.654 bonds (distance) P-C4' energy: -153.866 flat angles C4'-P-C4' energy: -168.313 flat angles P-C4'-P energy: -116.086 tors. eta vs tors. theta energy: -195.496 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: 8 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -2259.452418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.452418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.452418 (E_RNA) where: Base-Base interactions energy: -1519.497 where: short stacking energy: -666.104 Base-Backbone interact. energy: -1.524 local terms energy: -738.432016 where: bonds (distance) C4'-P energy: -128.853 bonds (distance) P-C4' energy: -167.972 flat angles C4'-P-C4' energy: -153.041 flat angles P-C4'-P energy: -112.427 tors. eta vs tors. theta energy: -176.139 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: 305 Temperature: 1.200000 Total energy: -2168.517448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.517448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.517448 (E_RNA) where: Base-Base interactions energy: -1463.224 where: short stacking energy: -599.685 Base-Backbone interact. energy: -4.874 local terms energy: -700.419240 where: bonds (distance) C4'-P energy: -131.876 bonds (distance) P-C4' energy: -172.740 flat angles C4'-P-C4' energy: -155.210 flat angles P-C4'-P energy: -89.834 tors. eta vs tors. theta energy: -150.759 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: 2 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1743.724076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.724076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.724076 (E_RNA) where: Base-Base interactions energy: -1172.226 where: short stacking energy: -538.461 Base-Backbone interact. energy: -0.929 local terms energy: -570.568649 where: bonds (distance) C4'-P energy: -108.034 bonds (distance) P-C4' energy: -142.921 flat angles C4'-P-C4' energy: -141.057 flat angles P-C4'-P energy: -74.124 tors. eta vs tors. theta energy: -104.432 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: 9, replica: 9 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -1555.004278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.004278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.004278 (E_RNA) where: Base-Base interactions energy: -1000.712 where: short stacking energy: -427.452 Base-Backbone interact. energy: -1.721 local terms energy: -554.082212 where: bonds (distance) C4'-P energy: -146.284 bonds (distance) P-C4' energy: -140.130 flat angles C4'-P-C4' energy: -122.662 flat angles P-C4'-P energy: -66.747 tors. eta vs tors. theta energy: -78.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.511 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -896.133137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.133137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.133137 (E_RNA) where: Base-Base interactions energy: -449.531 where: short stacking energy: -224.806 Base-Backbone interact. energy: -2.957 local terms energy: -443.644548 where: bonds (distance) C4'-P energy: -111.662 bonds (distance) P-C4' energy: -155.214 flat angles C4'-P-C4' energy: -100.724 flat angles P-C4'-P energy: -85.369 tors. eta vs tors. theta energy: 9.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -3117.187633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.187633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.187633 (E_RNA) where: Base-Base interactions energy: -2218.614 where: short stacking energy: -876.267 Base-Backbone interact. energy: -0.499 local terms energy: -898.074236 where: bonds (distance) C4'-P energy: -167.451 bonds (distance) P-C4' energy: -162.687 flat angles C4'-P-C4' energy: -193.123 flat angles P-C4'-P energy: -129.288 tors. eta vs tors. theta energy: -245.526 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: 5 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2833.273200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.273200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.273200 (E_RNA) where: Base-Base interactions energy: -1968.003 where: short stacking energy: -825.336 Base-Backbone interact. energy: -2.459 local terms energy: -862.811438 where: bonds (distance) C4'-P energy: -150.843 bonds (distance) P-C4' energy: -173.473 flat angles C4'-P-C4' energy: -186.058 flat angles P-C4'-P energy: -116.156 tors. eta vs tors. theta energy: -236.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2679.768495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.768495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.768495 (E_RNA) where: Base-Base interactions energy: -1870.190 where: short stacking energy: -804.149 Base-Backbone interact. energy: -5.709 local terms energy: -803.869375 where: bonds (distance) C4'-P energy: -146.008 bonds (distance) P-C4' energy: -151.113 flat angles C4'-P-C4' energy: -190.896 flat angles P-C4'-P energy: -104.229 tors. eta vs tors. theta energy: -211.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2658.829024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.829024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.829024 (E_RNA) where: Base-Base interactions energy: -1840.323 where: short stacking energy: -770.889 Base-Backbone interact. energy: 1.269 local terms energy: -819.775317 where: bonds (distance) C4'-P energy: -154.633 bonds (distance) P-C4' energy: -151.556 flat angles C4'-P-C4' energy: -186.379 flat angles P-C4'-P energy: -106.251 tors. eta vs tors. theta energy: -220.956 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: 5, replica: 8 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2354.554757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.554757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.554757 (E_RNA) where: Base-Base interactions energy: -1628.521 where: short stacking energy: -660.621 Base-Backbone interact. energy: -0.841 local terms energy: -725.192505 where: bonds (distance) C4'-P energy: -118.805 bonds (distance) P-C4' energy: -154.504 flat angles C4'-P-C4' energy: -162.076 flat angles P-C4'-P energy: -114.996 tors. eta vs tors. theta energy: -174.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -2411.464416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.464416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.464416 (E_RNA) where: Base-Base interactions energy: -1659.932 where: short stacking energy: -699.333 Base-Backbone interact. energy: -3.218 local terms energy: -748.314804 where: bonds (distance) C4'-P energy: -152.799 bonds (distance) P-C4' energy: -165.451 flat angles C4'-P-C4' energy: -159.266 flat angles P-C4'-P energy: -92.323 tors. eta vs tors. theta energy: -178.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -2168.029670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.029670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.029670 (E_RNA) where: Base-Base interactions energy: -1472.272 where: short stacking energy: -613.949 Base-Backbone interact. energy: -2.293 local terms energy: -693.464852 where: bonds (distance) C4'-P energy: -138.619 bonds (distance) P-C4' energy: -147.941 flat angles C4'-P-C4' energy: -153.234 flat angles P-C4'-P energy: -92.122 tors. eta vs tors. theta energy: -161.548 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: 306 Temperature: 1.250000 Total energy: -1691.875779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.875779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.875779 (E_RNA) where: Base-Base interactions energy: -1100.063 where: short stacking energy: -480.968 Base-Backbone interact. energy: 0.470 local terms energy: -592.282797 where: bonds (distance) C4'-P energy: -126.417 bonds (distance) P-C4' energy: -141.383 flat angles C4'-P-C4' energy: -152.882 flat angles P-C4'-P energy: -88.694 tors. eta vs tors. theta energy: -82.907 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: 9, replica: 9 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -1598.757590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.757590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.757590 (E_RNA) where: Base-Base interactions energy: -997.827 where: short stacking energy: -462.402 Base-Backbone interact. energy: -0.529 local terms energy: -600.414021 where: bonds (distance) C4'-P energy: -129.457 bonds (distance) P-C4' energy: -140.334 flat angles C4'-P-C4' energy: -135.139 flat angles P-C4'-P energy: -93.118 tors. eta vs tors. theta energy: -102.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.012 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -851.854085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.854085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.854085 (E_RNA) where: Base-Base interactions energy: -410.408 where: short stacking energy: -226.146 Base-Backbone interact. energy: -0.990 local terms energy: -440.455414 where: bonds (distance) C4'-P energy: -126.638 bonds (distance) P-C4' energy: -138.681 flat angles C4'-P-C4' energy: -115.631 flat angles P-C4'-P energy: -51.621 tors. eta vs tors. theta energy: -7.885 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: 1, replica: 3 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -3101.767511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.767511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.767511 (E_RNA) where: Base-Base interactions energy: -2226.207 where: short stacking energy: -889.063 Base-Backbone interact. energy: -6.303 local terms energy: -869.257453 where: bonds (distance) C4'-P energy: -146.775 bonds (distance) P-C4' energy: -161.849 flat angles C4'-P-C4' energy: -190.902 flat angles P-C4'-P energy: -120.654 tors. eta vs tors. theta energy: -249.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2830.586548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.586548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.586548 (E_RNA) where: Base-Base interactions energy: -1961.430 where: short stacking energy: -822.872 Base-Backbone interact. energy: -6.438 local terms energy: -862.718820 where: bonds (distance) C4'-P energy: -159.761 bonds (distance) P-C4' energy: -168.003 flat angles C4'-P-C4' energy: -182.534 flat angles P-C4'-P energy: -115.992 tors. eta vs tors. theta energy: -236.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2705.517005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.517005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.517005 (E_RNA) where: Base-Base interactions energy: -1856.082 where: short stacking energy: -793.477 Base-Backbone interact. energy: -1.755 local terms energy: -847.679864 where: bonds (distance) C4'-P energy: -151.404 bonds (distance) P-C4' energy: -177.214 flat angles C4'-P-C4' energy: -172.876 flat angles P-C4'-P energy: -127.512 tors. eta vs tors. theta energy: -218.673 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: 7 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2629.068557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.068557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.068557 (E_RNA) where: Base-Base interactions energy: -1854.216 where: short stacking energy: -770.376 Base-Backbone interact. energy: -3.259 local terms energy: -771.593584 where: bonds (distance) C4'-P energy: -124.220 bonds (distance) P-C4' energy: -155.686 flat angles C4'-P-C4' energy: -166.125 flat angles P-C4'-P energy: -103.894 tors. eta vs tors. theta energy: -221.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2351.555815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.555815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.555815 (E_RNA) where: Base-Base interactions energy: -1615.448 where: short stacking energy: -671.365 Base-Backbone interact. energy: -1.934 local terms energy: -734.173613 where: bonds (distance) C4'-P energy: -136.466 bonds (distance) P-C4' energy: -160.200 flat angles C4'-P-C4' energy: -159.672 flat angles P-C4'-P energy: -114.252 tors. eta vs tors. theta energy: -163.584 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: 307 Temperature: 1.150000 Total energy: -2349.560735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.560735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.560735 (E_RNA) where: Base-Base interactions energy: -1611.873 where: short stacking energy: -677.394 Base-Backbone interact. energy: -1.814 local terms energy: -735.872893 where: bonds (distance) C4'-P energy: -132.846 bonds (distance) P-C4' energy: -146.254 flat angles C4'-P-C4' energy: -165.321 flat angles P-C4'-P energy: -101.547 tors. eta vs tors. theta energy: -189.905 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: 6 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -2138.757378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.757378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.757378 (E_RNA) where: Base-Base interactions energy: -1517.307 where: short stacking energy: -632.906 Base-Backbone interact. energy: 7.373 local terms energy: -628.823427 where: bonds (distance) C4'-P energy: -112.818 bonds (distance) P-C4' energy: -149.978 flat angles C4'-P-C4' energy: -136.797 flat angles P-C4'-P energy: -79.257 tors. eta vs tors. theta energy: -149.972 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: 2 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1633.856667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.856667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.856667 (E_RNA) where: Base-Base interactions energy: -1051.316 where: short stacking energy: -471.883 Base-Backbone interact. energy: -2.277 local terms energy: -580.263726 where: bonds (distance) C4'-P energy: -139.606 bonds (distance) P-C4' energy: -136.062 flat angles C4'-P-C4' energy: -148.329 flat angles P-C4'-P energy: -74.609 tors. eta vs tors. theta energy: -81.659 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: 307 Temperature: 1.300000 Total energy: -1621.787615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.787615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.787615 (E_RNA) where: Base-Base interactions energy: -1064.966 where: short stacking energy: -445.160 Base-Backbone interact. energy: 0.248 local terms energy: -557.069167 where: bonds (distance) C4'-P energy: -120.537 bonds (distance) P-C4' energy: -125.656 flat angles C4'-P-C4' energy: -134.758 flat angles P-C4'-P energy: -97.408 tors. eta vs tors. theta energy: -78.711 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: 10 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -928.670174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.670174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.670174 (E_RNA) where: Base-Base interactions energy: -456.706 where: short stacking energy: -256.147 Base-Backbone interact. energy: 1.524 local terms energy: -473.488637 where: bonds (distance) C4'-P energy: -115.037 bonds (distance) P-C4' energy: -162.957 flat angles C4'-P-C4' energy: -119.348 flat angles P-C4'-P energy: -67.054 tors. eta vs tors. theta energy: -9.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -3079.732879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.732879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.732879 (E_RNA) where: Base-Base interactions energy: -2193.358 where: short stacking energy: -865.298 Base-Backbone interact. energy: -6.099 local terms energy: -880.275569 where: bonds (distance) C4'-P energy: -157.253 bonds (distance) P-C4' energy: -170.925 flat angles C4'-P-C4' energy: -194.643 flat angles P-C4'-P energy: -119.075 tors. eta vs tors. theta energy: -238.379 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: 2, replica: 5 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2821.142315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.142315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.142315 (E_RNA) where: Base-Base interactions energy: -1972.786 where: short stacking energy: -837.360 Base-Backbone interact. energy: -3.658 local terms energy: -844.698616 where: bonds (distance) C4'-P energy: -156.005 bonds (distance) P-C4' energy: -165.780 flat angles C4'-P-C4' energy: -175.425 flat angles P-C4'-P energy: -120.620 tors. eta vs tors. theta energy: -226.869 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: 1 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2703.140607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.140607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.140607 (E_RNA) where: Base-Base interactions energy: -1876.333 where: short stacking energy: -785.608 Base-Backbone interact. energy: -5.587 local terms energy: -821.220541 where: bonds (distance) C4'-P energy: -162.561 bonds (distance) P-C4' energy: -165.343 flat angles C4'-P-C4' energy: -163.124 flat angles P-C4'-P energy: -102.507 tors. eta vs tors. theta energy: -227.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2665.448971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.448971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.448971 (E_RNA) where: Base-Base interactions energy: -1847.911 where: short stacking energy: -755.384 Base-Backbone interact. energy: -6.317 local terms energy: -811.220704 where: bonds (distance) C4'-P energy: -135.841 bonds (distance) P-C4' energy: -156.139 flat angles C4'-P-C4' energy: -186.002 flat angles P-C4'-P energy: -127.492 tors. eta vs tors. theta energy: -205.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2334.611884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.611884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.611884 (E_RNA) where: Base-Base interactions energy: -1582.904 where: short stacking energy: -688.143 Base-Backbone interact. energy: -5.846 local terms energy: -745.861822 where: bonds (distance) C4'-P energy: -148.435 bonds (distance) P-C4' energy: -139.864 flat angles C4'-P-C4' energy: -169.017 flat angles P-C4'-P energy: -106.797 tors. eta vs tors. theta energy: -181.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -2301.494229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.494229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.494229 (E_RNA) where: Base-Base interactions energy: -1595.532 where: short stacking energy: -656.033 Base-Backbone interact. energy: -3.675 local terms energy: -702.287070 where: bonds (distance) C4'-P energy: -125.882 bonds (distance) P-C4' energy: -168.996 flat angles C4'-P-C4' energy: -157.256 flat angles P-C4'-P energy: -86.618 tors. eta vs tors. theta energy: -163.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -2128.084150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.084150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.084150 (E_RNA) where: Base-Base interactions energy: -1468.522 where: short stacking energy: -607.020 Base-Backbone interact. energy: -2.827 local terms energy: -656.734390 where: bonds (distance) C4'-P energy: -125.149 bonds (distance) P-C4' energy: -136.574 flat angles C4'-P-C4' energy: -140.542 flat angles P-C4'-P energy: -108.921 tors. eta vs tors. theta energy: -145.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1666.247282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.247282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.247282 (E_RNA) where: Base-Base interactions energy: -1076.718 where: short stacking energy: -474.721 Base-Backbone interact. energy: 1.530 local terms energy: -591.059070 where: bonds (distance) C4'-P energy: -117.668 bonds (distance) P-C4' energy: -151.830 flat angles C4'-P-C4' energy: -129.592 flat angles P-C4'-P energy: -83.824 tors. eta vs tors. theta energy: -108.146 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: 308 Temperature: 1.300000 Total energy: -1608.440414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.440414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.440414 (E_RNA) where: Base-Base interactions energy: -1036.554 where: short stacking energy: -467.397 Base-Backbone interact. energy: 5.637 local terms energy: -577.524062 where: bonds (distance) C4'-P energy: -133.817 bonds (distance) P-C4' energy: -153.256 flat angles C4'-P-C4' energy: -117.580 flat angles P-C4'-P energy: -85.595 tors. eta vs tors. theta energy: -87.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -860.321322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.321322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.321322 (E_RNA) where: Base-Base interactions energy: -412.535 where: short stacking energy: -261.107 Base-Backbone interact. energy: 4.241 local terms energy: -452.027496 where: bonds (distance) C4'-P energy: -114.069 bonds (distance) P-C4' energy: -149.218 flat angles C4'-P-C4' energy: -111.358 flat angles P-C4'-P energy: -70.337 tors. eta vs tors. theta energy: -7.046 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: 3 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -3070.005694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.005694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.005694 (E_RNA) where: Base-Base interactions energy: -2180.023 where: short stacking energy: -874.534 Base-Backbone interact. energy: -7.251 local terms energy: -882.732069 where: bonds (distance) C4'-P energy: -154.755 bonds (distance) P-C4' energy: -159.217 flat angles C4'-P-C4' energy: -190.854 flat angles P-C4'-P energy: -139.117 tors. eta vs tors. theta energy: -238.789 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: 5 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2817.955514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.955514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.955514 (E_RNA) where: Base-Base interactions energy: -1958.315 where: short stacking energy: -822.259 Base-Backbone interact. energy: -7.217 local terms energy: -852.424159 where: bonds (distance) C4'-P energy: -148.759 bonds (distance) P-C4' energy: -151.697 flat angles C4'-P-C4' energy: -188.535 flat angles P-C4'-P energy: -129.855 tors. eta vs tors. theta energy: -233.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2696.977887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.977887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.977887 (E_RNA) where: Base-Base interactions energy: -1869.668 where: short stacking energy: -793.212 Base-Backbone interact. energy: -6.636 local terms energy: -820.673862 where: bonds (distance) C4'-P energy: -131.926 bonds (distance) P-C4' energy: -170.461 flat angles C4'-P-C4' energy: -172.454 flat angles P-C4'-P energy: -118.977 tors. eta vs tors. theta energy: -226.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2635.328390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.328390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.328390 (E_RNA) where: Base-Base interactions energy: -1824.889 where: short stacking energy: -759.368 Base-Backbone interact. energy: -0.401 local terms energy: -810.038736 where: bonds (distance) C4'-P energy: -153.538 bonds (distance) P-C4' energy: -161.060 flat angles C4'-P-C4' energy: -174.070 flat angles P-C4'-P energy: -104.712 tors. eta vs tors. theta energy: -216.658 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: 8 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2389.488410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.488410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.488410 (E_RNA) where: Base-Base interactions energy: -1625.126 where: short stacking energy: -699.465 Base-Backbone interact. energy: -2.632 local terms energy: -761.730752 where: bonds (distance) C4'-P energy: -146.839 bonds (distance) P-C4' energy: -158.543 flat angles C4'-P-C4' energy: -153.879 flat angles P-C4'-P energy: -112.732 tors. eta vs tors. theta energy: -189.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2341.753989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.753989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.753989 (E_RNA) where: Base-Base interactions energy: -1629.051 where: short stacking energy: -688.185 Base-Backbone interact. energy: -3.333 local terms energy: -709.369601 where: bonds (distance) C4'-P energy: -129.016 bonds (distance) P-C4' energy: -135.347 flat angles C4'-P-C4' energy: -164.386 flat angles P-C4'-P energy: -106.673 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: 7, replica: 6 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -2119.545797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.545797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.545797 (E_RNA) where: Base-Base interactions energy: -1413.832 where: short stacking energy: -590.600 Base-Backbone interact. energy: 0.335 local terms energy: -706.048675 where: bonds (distance) C4'-P energy: -145.127 bonds (distance) P-C4' energy: -154.010 flat angles C4'-P-C4' energy: -162.384 flat angles P-C4'-P energy: -96.205 tors. eta vs tors. theta energy: -148.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1720.770410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.770410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.770410 (E_RNA) where: Base-Base interactions energy: -1113.029 where: short stacking energy: -496.384 Base-Backbone interact. energy: 5.101 local terms energy: -612.842603 where: bonds (distance) C4'-P energy: -122.602 bonds (distance) P-C4' energy: -135.490 flat angles C4'-P-C4' energy: -161.755 flat angles P-C4'-P energy: -85.850 tors. eta vs tors. theta energy: -107.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1544.936234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.936234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.936234 (E_RNA) where: Base-Base interactions energy: -974.396 where: short stacking energy: -424.936 Base-Backbone interact. energy: -2.094 local terms energy: -568.445778 where: bonds (distance) C4'-P energy: -134.107 bonds (distance) P-C4' energy: -134.397 flat angles C4'-P-C4' energy: -147.182 flat angles P-C4'-P energy: -80.855 tors. eta vs tors. theta energy: -71.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -845.708938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.708938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.708938 (E_RNA) where: Base-Base interactions energy: -401.217 where: short stacking energy: -232.105 Base-Backbone interact. energy: -2.431 local terms energy: -442.061499 where: bonds (distance) C4'-P energy: -129.709 bonds (distance) P-C4' energy: -111.610 flat angles C4'-P-C4' energy: -127.484 flat angles P-C4'-P energy: -74.086 tors. eta vs tors. theta energy: 0.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -3071.310877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.310877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.310877 (E_RNA) where: Base-Base interactions energy: -2186.066 where: short stacking energy: -875.696 Base-Backbone interact. energy: -6.971 local terms energy: -878.274053 where: bonds (distance) C4'-P energy: -163.558 bonds (distance) P-C4' energy: -174.235 flat angles C4'-P-C4' energy: -179.571 flat angles P-C4'-P energy: -125.615 tors. eta vs tors. theta energy: -235.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2791.893063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.893063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.893063 (E_RNA) where: Base-Base interactions energy: -1955.541 where: short stacking energy: -814.660 Base-Backbone interact. energy: -4.366 local terms energy: -831.986927 where: bonds (distance) C4'-P energy: -148.967 bonds (distance) P-C4' energy: -151.585 flat angles C4'-P-C4' energy: -185.907 flat angles P-C4'-P energy: -126.567 tors. eta vs tors. theta energy: -218.961 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: 1 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2666.097093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.097093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.097093 (E_RNA) where: Base-Base interactions energy: -1827.564 where: short stacking energy: -799.696 Base-Backbone interact. energy: -1.352 local terms energy: -837.181066 where: bonds (distance) C4'-P energy: -138.165 bonds (distance) P-C4' energy: -171.451 flat angles C4'-P-C4' energy: -176.337 flat angles P-C4'-P energy: -118.171 tors. eta vs tors. theta energy: -233.056 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: 7 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2584.973815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.973815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.973815 (E_RNA) where: Base-Base interactions energy: -1791.376 where: short stacking energy: -761.475 Base-Backbone interact. energy: 1.134 local terms energy: -794.732047 where: bonds (distance) C4'-P energy: -128.423 bonds (distance) P-C4' energy: -166.647 flat angles C4'-P-C4' energy: -184.121 flat angles P-C4'-P energy: -111.064 tors. eta vs tors. theta energy: -204.476 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: 5, replica: 4 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2400.141702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.141702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.141702 (E_RNA) where: Base-Base interactions energy: -1678.027 where: short stacking energy: -689.843 Base-Backbone interact. energy: -1.197 local terms energy: -720.917623 where: bonds (distance) C4'-P energy: -127.086 bonds (distance) P-C4' energy: -146.315 flat angles C4'-P-C4' energy: -161.796 flat angles P-C4'-P energy: -109.272 tors. eta vs tors. theta energy: -176.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -2265.482085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.482085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.482085 (E_RNA) where: Base-Base interactions energy: -1538.100 where: short stacking energy: -628.019 Base-Backbone interact. energy: -4.100 local terms energy: -723.282252 where: bonds (distance) C4'-P energy: -144.361 bonds (distance) P-C4' energy: -154.964 flat angles C4'-P-C4' energy: -157.732 flat angles P-C4'-P energy: -97.017 tors. eta vs tors. theta energy: -169.208 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: 6 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -2119.900752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.900752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.900752 (E_RNA) where: Base-Base interactions energy: -1433.152 where: short stacking energy: -605.500 Base-Backbone interact. energy: -2.948 local terms energy: -683.801013 where: bonds (distance) C4'-P energy: -144.274 bonds (distance) P-C4' energy: -141.147 flat angles C4'-P-C4' energy: -143.001 flat angles P-C4'-P energy: -102.299 tors. eta vs tors. theta energy: -153.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1740.512434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.512434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.512434 (E_RNA) where: Base-Base interactions energy: -1122.637 where: short stacking energy: -500.430 Base-Backbone interact. energy: -2.353 local terms energy: -615.521914 where: bonds (distance) C4'-P energy: -126.450 bonds (distance) P-C4' energy: -147.471 flat angles C4'-P-C4' energy: -138.361 flat angles P-C4'-P energy: -100.581 tors. eta vs tors. theta energy: -102.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1585.770382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.770382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.770382 (E_RNA) where: Base-Base interactions energy: -1022.527 where: short stacking energy: -473.277 Base-Backbone interact. energy: 1.290 local terms energy: -564.533721 where: bonds (distance) C4'-P energy: -129.979 bonds (distance) P-C4' energy: -133.644 flat angles C4'-P-C4' energy: -134.215 flat angles P-C4'-P energy: -68.705 tors. eta vs tors. theta energy: -97.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -869.965623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.965623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.965623 (E_RNA) where: Base-Base interactions energy: -403.269 where: short stacking energy: -234.638 Base-Backbone interact. energy: -1.131 local terms energy: -465.565300 where: bonds (distance) C4'-P energy: -137.756 bonds (distance) P-C4' energy: -150.423 flat angles C4'-P-C4' energy: -108.190 flat angles P-C4'-P energy: -79.875 tors. eta vs tors. theta energy: 10.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -3070.430582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.430582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.430582 (E_RNA) where: Base-Base interactions energy: -2205.866 where: short stacking energy: -863.994 Base-Backbone interact. energy: -3.588 local terms energy: -860.976522 where: bonds (distance) C4'-P energy: -167.710 bonds (distance) P-C4' energy: -155.398 flat angles C4'-P-C4' energy: -175.103 flat angles P-C4'-P energy: -124.605 tors. eta vs tors. theta energy: -238.160 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: 5 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2820.749552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.749552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.749552 (E_RNA) where: Base-Base interactions energy: -1956.107 where: short stacking energy: -822.167 Base-Backbone interact. energy: -0.336 local terms energy: -864.306314 where: bonds (distance) C4'-P energy: -158.093 bonds (distance) P-C4' energy: -179.303 flat angles C4'-P-C4' energy: -178.988 flat angles P-C4'-P energy: -135.374 tors. eta vs tors. theta energy: -212.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2653.434024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.434024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.434024 (E_RNA) where: Base-Base interactions energy: -1825.304 where: short stacking energy: -765.560 Base-Backbone interact. energy: -4.402 local terms energy: -823.727461 where: bonds (distance) C4'-P energy: -148.626 bonds (distance) P-C4' energy: -160.572 flat angles C4'-P-C4' energy: -176.452 flat angles P-C4'-P energy: -124.569 tors. eta vs tors. theta energy: -213.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2588.440220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.440220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.440220 (E_RNA) where: Base-Base interactions energy: -1788.979 where: short stacking energy: -743.460 Base-Backbone interact. energy: -3.668 local terms energy: -795.793198 where: bonds (distance) C4'-P energy: -154.593 bonds (distance) P-C4' energy: -161.813 flat angles C4'-P-C4' energy: -174.235 flat angles P-C4'-P energy: -111.268 tors. eta vs tors. theta energy: -193.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2418.306592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.306592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.306592 (E_RNA) where: Base-Base interactions energy: -1669.141 where: short stacking energy: -703.395 Base-Backbone interact. energy: -3.146 local terms energy: -746.018898 where: bonds (distance) C4'-P energy: -127.942 bonds (distance) P-C4' energy: -155.208 flat angles C4'-P-C4' energy: -166.624 flat angles P-C4'-P energy: -112.028 tors. eta vs tors. theta energy: -184.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2280.034174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.034174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.034174 (E_RNA) where: Base-Base interactions energy: -1559.373 where: short stacking energy: -674.342 Base-Backbone interact. energy: -0.342 local terms energy: -720.318790 where: bonds (distance) C4'-P energy: -142.775 bonds (distance) P-C4' energy: -147.187 flat angles C4'-P-C4' energy: -157.401 flat angles P-C4'-P energy: -92.396 tors. eta vs tors. theta energy: -180.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -2183.698995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.698995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.698995 (E_RNA) where: Base-Base interactions energy: -1500.516 where: short stacking energy: -623.035 Base-Backbone interact. energy: -0.372 local terms energy: -682.811505 where: bonds (distance) C4'-P energy: -141.431 bonds (distance) P-C4' energy: -158.889 flat angles C4'-P-C4' energy: -133.990 flat angles P-C4'-P energy: -105.483 tors. eta vs tors. theta energy: -143.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1810.778179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.778179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.778179 (E_RNA) where: Base-Base interactions energy: -1160.066 where: short stacking energy: -516.152 Base-Backbone interact. energy: -1.533 local terms energy: -649.179586 where: bonds (distance) C4'-P energy: -140.963 bonds (distance) P-C4' energy: -150.175 flat angles C4'-P-C4' energy: -157.631 flat angles P-C4'-P energy: -86.636 tors. eta vs tors. theta energy: -113.774 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: 311 Temperature: 1.300000 Total energy: -1594.270246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.270246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.270246 (E_RNA) where: Base-Base interactions energy: -1031.619 where: short stacking energy: -433.987 Base-Backbone interact. energy: -3.766 local terms energy: -558.885669 where: bonds (distance) C4'-P energy: -125.801 bonds (distance) P-C4' energy: -143.813 flat angles C4'-P-C4' energy: -127.192 flat angles P-C4'-P energy: -87.042 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: 10, replica: 10 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -888.857087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.857087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.857087 (E_RNA) where: Base-Base interactions energy: -426.982 where: short stacking energy: -243.084 Base-Backbone interact. energy: 2.699 local terms energy: -464.573762 where: bonds (distance) C4'-P energy: -99.967 bonds (distance) P-C4' energy: -165.474 flat angles C4'-P-C4' energy: -123.585 flat angles P-C4'-P energy: -76.396 tors. eta vs tors. theta energy: 0.848 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: 3 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -3086.179131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.179131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.179131 (E_RNA) where: Base-Base interactions energy: -2189.799 where: short stacking energy: -865.749 Base-Backbone interact. energy: -6.404 local terms energy: -889.975583 where: bonds (distance) C4'-P energy: -162.344 bonds (distance) P-C4' energy: -168.170 flat angles C4'-P-C4' energy: -192.059 flat angles P-C4'-P energy: -134.680 tors. eta vs tors. theta energy: -232.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2800.240748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.240748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.240748 (E_RNA) where: Base-Base interactions energy: -1934.087 where: short stacking energy: -812.815 Base-Backbone interact. energy: -0.663 local terms energy: -865.490622 where: bonds (distance) C4'-P energy: -161.604 bonds (distance) P-C4' energy: -167.696 flat angles C4'-P-C4' energy: -189.611 flat angles P-C4'-P energy: -123.760 tors. eta vs tors. theta energy: -222.820 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: 3, replica: 1 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2704.641748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.641748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.641748 (E_RNA) where: Base-Base interactions energy: -1864.658 where: short stacking energy: -800.634 Base-Backbone interact. energy: -4.899 local terms energy: -835.084351 where: bonds (distance) C4'-P energy: -147.570 bonds (distance) P-C4' energy: -169.223 flat angles C4'-P-C4' energy: -181.467 flat angles P-C4'-P energy: -112.463 tors. eta vs tors. theta energy: -224.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2598.497342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.497342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.497342 (E_RNA) where: Base-Base interactions energy: -1784.400 where: short stacking energy: -744.752 Base-Backbone interact. energy: -3.505 local terms energy: -810.592847 where: bonds (distance) C4'-P energy: -120.797 bonds (distance) P-C4' energy: -177.378 flat angles C4'-P-C4' energy: -183.622 flat angles P-C4'-P energy: -119.705 tors. eta vs tors. theta energy: -209.090 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: 4 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2437.854424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.854424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.854424 (E_RNA) where: Base-Base interactions energy: -1680.183 where: short stacking energy: -702.952 Base-Backbone interact. energy: -2.650 local terms energy: -755.022234 where: bonds (distance) C4'-P energy: -136.714 bonds (distance) P-C4' energy: -163.904 flat angles C4'-P-C4' energy: -164.043 flat angles P-C4'-P energy: -103.286 tors. eta vs tors. theta energy: -187.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -2223.488094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.488094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.488094 (E_RNA) where: Base-Base interactions energy: -1513.602 where: short stacking energy: -642.315 Base-Backbone interact. energy: -9.739 local terms energy: -700.147177 where: bonds (distance) C4'-P energy: -138.007 bonds (distance) P-C4' energy: -148.537 flat angles C4'-P-C4' energy: -142.517 flat angles P-C4'-P energy: -112.829 tors. eta vs tors. theta energy: -158.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -2149.680126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.680126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.680126 (E_RNA) where: Base-Base interactions energy: -1493.941 where: short stacking energy: -639.362 Base-Backbone interact. energy: -0.351 local terms energy: -655.388679 where: bonds (distance) C4'-P energy: -108.766 bonds (distance) P-C4' energy: -144.329 flat angles C4'-P-C4' energy: -156.823 flat angles P-C4'-P energy: -84.152 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: 8, replica: 2 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1698.162970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.162970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.162970 (E_RNA) where: Base-Base interactions energy: -1121.733 where: short stacking energy: -499.238 Base-Backbone interact. energy: -0.685 local terms energy: -575.745023 where: bonds (distance) C4'-P energy: -138.685 bonds (distance) P-C4' energy: -112.142 flat angles C4'-P-C4' energy: -144.241 flat angles P-C4'-P energy: -78.168 tors. eta vs tors. theta energy: -102.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1589.836219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.836219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.836219 (E_RNA) where: Base-Base interactions energy: -1018.112 where: short stacking energy: -421.000 Base-Backbone interact. energy: -1.425 local terms energy: -570.299281 where: bonds (distance) C4'-P energy: -150.129 bonds (distance) P-C4' energy: -140.227 flat angles C4'-P-C4' energy: -129.378 flat angles P-C4'-P energy: -70.947 tors. eta vs tors. theta energy: -79.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -859.761056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.761056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.761056 (E_RNA) where: Base-Base interactions energy: -449.299 where: short stacking energy: -245.685 Base-Backbone interact. energy: 3.539 local terms energy: -414.001802 where: bonds (distance) C4'-P energy: -127.198 bonds (distance) P-C4' energy: -135.701 flat angles C4'-P-C4' energy: -106.405 flat angles P-C4'-P energy: -56.562 tors. eta vs tors. theta energy: 11.865 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: 3 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -3075.150560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.150560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.150560 (E_RNA) where: Base-Base interactions energy: -2188.623 where: short stacking energy: -871.502 Base-Backbone interact. energy: -5.774 local terms energy: -880.753511 where: bonds (distance) C4'-P energy: -169.191 bonds (distance) P-C4' energy: -154.494 flat angles C4'-P-C4' energy: -178.122 flat angles P-C4'-P energy: -135.571 tors. eta vs tors. theta energy: -243.376 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: 313 Temperature: 0.950000 Total energy: -2837.608594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.608594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.608594 (E_RNA) where: Base-Base interactions energy: -2004.786 where: short stacking energy: -832.630 Base-Backbone interact. energy: -4.152 local terms energy: -828.670759 where: bonds (distance) C4'-P energy: -154.168 bonds (distance) P-C4' energy: -157.019 flat angles C4'-P-C4' energy: -169.668 flat angles P-C4'-P energy: -115.292 tors. eta vs tors. theta energy: -232.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2649.421412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.421412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.421412 (E_RNA) where: Base-Base interactions energy: -1846.674 where: short stacking energy: -803.185 Base-Backbone interact. energy: -4.933 local terms energy: -797.814107 where: bonds (distance) C4'-P energy: -133.630 bonds (distance) P-C4' energy: -155.633 flat angles C4'-P-C4' energy: -180.891 flat angles P-C4'-P energy: -110.536 tors. eta vs tors. theta energy: -217.124 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: 7 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2567.235997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.235997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.235997 (E_RNA) where: Base-Base interactions energy: -1784.537 where: short stacking energy: -724.981 Base-Backbone interact. energy: -5.245 local terms energy: -777.453838 where: bonds (distance) C4'-P energy: -147.648 bonds (distance) P-C4' energy: -162.832 flat angles C4'-P-C4' energy: -172.446 flat angles P-C4'-P energy: -102.500 tors. eta vs tors. theta energy: -192.029 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: 313 Temperature: 1.100000 Total energy: -2506.945465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.945465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.945465 (E_RNA) where: Base-Base interactions energy: -1725.576 where: short stacking energy: -753.658 Base-Backbone interact. energy: -3.030 local terms energy: -778.339391 where: bonds (distance) C4'-P energy: -141.952 bonds (distance) P-C4' energy: -159.092 flat angles C4'-P-C4' energy: -171.268 flat angles P-C4'-P energy: -115.879 tors. eta vs tors. theta energy: -190.148 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: 6 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -2186.641414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.641414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.641414 (E_RNA) where: Base-Base interactions energy: -1529.597 where: short stacking energy: -655.650 Base-Backbone interact. energy: -4.042 local terms energy: -654.294803 where: bonds (distance) C4'-P energy: -109.247 bonds (distance) P-C4' energy: -131.477 flat angles C4'-P-C4' energy: -152.711 flat angles P-C4'-P energy: -95.350 tors. eta vs tors. theta energy: -165.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.292 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -2141.075898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.075898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.075898 (E_RNA) where: Base-Base interactions energy: -1465.202 where: short stacking energy: -668.045 Base-Backbone interact. energy: 2.442 local terms energy: -678.315269 where: bonds (distance) C4'-P energy: -129.024 bonds (distance) P-C4' energy: -142.183 flat angles C4'-P-C4' energy: -142.725 flat angles P-C4'-P energy: -100.209 tors. eta vs tors. theta energy: -164.174 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: 2 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1689.499918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.499918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.499918 (E_RNA) where: Base-Base interactions energy: -1116.366 where: short stacking energy: -481.068 Base-Backbone interact. energy: -0.689 local terms energy: -572.444723 where: bonds (distance) C4'-P energy: -129.548 bonds (distance) P-C4' energy: -151.495 flat angles C4'-P-C4' energy: -117.375 flat angles P-C4'-P energy: -87.976 tors. eta vs tors. theta energy: -86.050 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: 313 Temperature: 1.300000 Total energy: -1530.338558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.338558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.338558 (E_RNA) where: Base-Base interactions energy: -954.903 where: short stacking energy: -425.944 Base-Backbone interact. energy: 3.830 local terms energy: -579.265844 where: bonds (distance) C4'-P energy: -127.345 bonds (distance) P-C4' energy: -140.888 flat angles C4'-P-C4' energy: -144.842 flat angles P-C4'-P energy: -95.650 tors. eta vs tors. theta energy: -70.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -901.389319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.389319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.389319 (E_RNA) where: Base-Base interactions energy: -423.502 where: short stacking energy: -229.392 Base-Backbone interact. energy: -1.583 local terms energy: -476.304500 where: bonds (distance) C4'-P energy: -126.872 bonds (distance) P-C4' energy: -156.947 flat angles C4'-P-C4' energy: -125.289 flat angles P-C4'-P energy: -61.461 tors. eta vs tors. theta energy: -5.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -3062.589619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.589619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.589619 (E_RNA) where: Base-Base interactions energy: -2181.824 where: short stacking energy: -854.313 Base-Backbone interact. energy: -5.957 local terms energy: -874.808816 where: bonds (distance) C4'-P energy: -159.851 bonds (distance) P-C4' energy: -175.981 flat angles C4'-P-C4' energy: -184.401 flat angles P-C4'-P energy: -121.133 tors. eta vs tors. theta energy: -233.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2771.766962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.766962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.766962 (E_RNA) where: Base-Base interactions energy: -1945.997 where: short stacking energy: -814.752 Base-Backbone interact. energy: -4.458 local terms energy: -821.312216 where: bonds (distance) C4'-P energy: -136.239 bonds (distance) P-C4' energy: -160.967 flat angles C4'-P-C4' energy: -179.838 flat angles P-C4'-P energy: -127.082 tors. eta vs tors. theta energy: -217.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2688.421339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.421339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.421339 (E_RNA) where: Base-Base interactions energy: -1874.858 where: short stacking energy: -776.475 Base-Backbone interact. energy: -2.726 local terms energy: -810.837408 where: bonds (distance) C4'-P energy: -164.917 bonds (distance) P-C4' energy: -162.822 flat angles C4'-P-C4' energy: -169.327 flat angles P-C4'-P energy: -113.253 tors. eta vs tors. theta energy: -200.518 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: 314 Temperature: 1.050000 Total energy: -2579.717900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.717900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.717900 (E_RNA) where: Base-Base interactions energy: -1800.795 where: short stacking energy: -759.967 Base-Backbone interact. energy: -2.571 local terms energy: -776.351921 where: bonds (distance) C4'-P energy: -143.015 bonds (distance) P-C4' energy: -141.046 flat angles C4'-P-C4' energy: -179.020 flat angles P-C4'-P energy: -112.903 tors. eta vs tors. theta energy: -200.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2427.433744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.433744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.433744 (E_RNA) where: Base-Base interactions energy: -1695.274 where: short stacking energy: -701.639 Base-Backbone interact. energy: -1.803 local terms energy: -730.356196 where: bonds (distance) C4'-P energy: -128.695 bonds (distance) P-C4' energy: -151.874 flat angles C4'-P-C4' energy: -164.240 flat angles P-C4'-P energy: -118.827 tors. eta vs tors. theta energy: -166.720 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: 6 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -2214.474262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.474262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.474262 (E_RNA) where: Base-Base interactions energy: -1508.530 where: short stacking energy: -666.275 Base-Backbone interact. energy: -3.829 local terms energy: -702.115370 where: bonds (distance) C4'-P energy: -143.045 bonds (distance) P-C4' energy: -137.701 flat angles C4'-P-C4' energy: -147.660 flat angles P-C4'-P energy: -95.806 tors. eta vs tors. theta energy: -177.903 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: 8 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -2191.995718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.995718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.995718 (E_RNA) where: Base-Base interactions energy: -1496.591 where: short stacking energy: -630.022 Base-Backbone interact. energy: -3.254 local terms energy: -693.762621 where: bonds (distance) C4'-P energy: -111.406 bonds (distance) P-C4' energy: -156.670 flat angles C4'-P-C4' energy: -170.738 flat angles P-C4'-P energy: -102.769 tors. eta vs tors. theta energy: -152.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.612 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1711.128623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.128623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.128623 (E_RNA) where: Base-Base interactions energy: -1100.999 where: short stacking energy: -515.535 Base-Backbone interact. energy: -2.974 local terms energy: -607.156043 where: bonds (distance) C4'-P energy: -140.763 bonds (distance) P-C4' energy: -127.344 flat angles C4'-P-C4' energy: -130.635 flat angles P-C4'-P energy: -88.770 tors. eta vs tors. theta energy: -119.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1552.214489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.214489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.214489 (E_RNA) where: Base-Base interactions energy: -977.938 where: short stacking energy: -431.160 Base-Backbone interact. energy: -2.709 local terms energy: -571.567166 where: bonds (distance) C4'-P energy: -130.577 bonds (distance) P-C4' energy: -151.822 flat angles C4'-P-C4' energy: -123.529 flat angles P-C4'-P energy: -73.599 tors. eta vs tors. theta energy: -92.040 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: 10, replica: 10 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -897.700046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.700046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.700046 (E_RNA) where: Base-Base interactions energy: -458.395 where: short stacking energy: -274.608 Base-Backbone interact. energy: 4.105 local terms energy: -445.308981 where: bonds (distance) C4'-P energy: -112.680 bonds (distance) P-C4' energy: -150.732 flat angles C4'-P-C4' energy: -109.542 flat angles P-C4'-P energy: -66.554 tors. eta vs tors. theta energy: -5.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.899 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -3052.137653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.137653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.137653 (E_RNA) where: Base-Base interactions energy: -2138.970 where: short stacking energy: -845.151 Base-Backbone interact. energy: -9.176 local terms energy: -903.991441 where: bonds (distance) C4'-P energy: -169.192 bonds (distance) P-C4' energy: -172.473 flat angles C4'-P-C4' energy: -184.464 flat angles P-C4'-P energy: -142.823 tors. eta vs tors. theta energy: -235.040 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: 7 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2736.167327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.167327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.167327 (E_RNA) where: Base-Base interactions energy: -1911.427 where: short stacking energy: -801.284 Base-Backbone interact. energy: -4.785 local terms energy: -819.955382 where: bonds (distance) C4'-P energy: -149.312 bonds (distance) P-C4' energy: -167.374 flat angles C4'-P-C4' energy: -188.219 flat angles P-C4'-P energy: -108.433 tors. eta vs tors. theta energy: -206.618 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: 5 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2713.296638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.296638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.296638 (E_RNA) where: Base-Base interactions energy: -1885.785 where: short stacking energy: -776.626 Base-Backbone interact. energy: -4.721 local terms energy: -822.790124 where: bonds (distance) C4'-P energy: -156.284 bonds (distance) P-C4' energy: -145.168 flat angles C4'-P-C4' energy: -181.651 flat angles P-C4'-P energy: -120.500 tors. eta vs tors. theta energy: -219.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2581.260118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.260118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.260118 (E_RNA) where: Base-Base interactions energy: -1759.351 where: short stacking energy: -735.693 Base-Backbone interact. energy: -4.270 local terms energy: -817.639153 where: bonds (distance) C4'-P energy: -155.921 bonds (distance) P-C4' energy: -158.825 flat angles C4'-P-C4' energy: -181.261 flat angles P-C4'-P energy: -123.978 tors. eta vs tors. theta energy: -197.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2410.498110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.498110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.498110 (E_RNA) where: Base-Base interactions energy: -1653.818 where: short stacking energy: -710.445 Base-Backbone interact. energy: -2.335 local terms energy: -754.344812 where: bonds (distance) C4'-P energy: -146.192 bonds (distance) P-C4' energy: -155.793 flat angles C4'-P-C4' energy: -166.709 flat angles P-C4'-P energy: -107.853 tors. eta vs tors. theta energy: -177.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -2261.659457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.659457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.659457 (E_RNA) where: Base-Base interactions energy: -1523.465 where: short stacking energy: -641.880 Base-Backbone interact. energy: -4.565 local terms energy: -733.629774 where: bonds (distance) C4'-P energy: -118.417 bonds (distance) P-C4' energy: -163.530 flat angles C4'-P-C4' energy: -172.501 flat angles P-C4'-P energy: -111.441 tors. eta vs tors. theta energy: -167.741 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: 8 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -2148.080019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.080019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.080019 (E_RNA) where: Base-Base interactions energy: -1493.261 where: short stacking energy: -636.331 Base-Backbone interact. energy: -0.355 local terms energy: -654.463940 where: bonds (distance) C4'-P energy: -130.050 bonds (distance) P-C4' energy: -148.159 flat angles C4'-P-C4' energy: -133.274 flat angles P-C4'-P energy: -87.584 tors. eta vs tors. theta energy: -155.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1683.597335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.597335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.597335 (E_RNA) where: Base-Base interactions energy: -1079.349 where: short stacking energy: -499.801 Base-Backbone interact. energy: 3.978 local terms energy: -608.226409 where: bonds (distance) C4'-P energy: -120.443 bonds (distance) P-C4' energy: -146.032 flat angles C4'-P-C4' energy: -141.476 flat angles P-C4'-P energy: -100.065 tors. eta vs tors. theta energy: -100.211 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: 315 Temperature: 1.300000 Total energy: -1496.536921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.536921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.536921 (E_RNA) where: Base-Base interactions energy: -938.094 where: short stacking energy: -428.011 Base-Backbone interact. energy: -2.995 local terms energy: -555.447601 where: bonds (distance) C4'-P energy: -107.710 bonds (distance) P-C4' energy: -161.681 flat angles C4'-P-C4' energy: -146.228 flat angles P-C4'-P energy: -69.964 tors. eta vs tors. theta energy: -69.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -886.029181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.029181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.029181 (E_RNA) where: Base-Base interactions energy: -458.579 where: short stacking energy: -248.227 Base-Backbone interact. energy: -0.981 local terms energy: -426.469373 where: bonds (distance) C4'-P energy: -144.462 bonds (distance) P-C4' energy: -112.451 flat angles C4'-P-C4' energy: -94.849 flat angles P-C4'-P energy: -83.815 tors. eta vs tors. theta energy: 9.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -3064.014914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.014914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.014914 (E_RNA) where: Base-Base interactions energy: -2176.319 where: short stacking energy: -867.110 Base-Backbone interact. energy: -0.264 local terms energy: -887.432564 where: bonds (distance) C4'-P energy: -141.212 bonds (distance) P-C4' energy: -167.030 flat angles C4'-P-C4' energy: -195.571 flat angles P-C4'-P energy: -136.422 tors. eta vs tors. theta energy: -247.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2771.116808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.116808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.116808 (E_RNA) where: Base-Base interactions energy: -1931.960 where: short stacking energy: -820.800 Base-Backbone interact. energy: -1.556 local terms energy: -837.600338 where: bonds (distance) C4'-P energy: -169.180 bonds (distance) P-C4' energy: -152.687 flat angles C4'-P-C4' energy: -182.614 flat angles P-C4'-P energy: -118.451 tors. eta vs tors. theta energy: -214.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2700.046199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.046199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.046199 (E_RNA) where: Base-Base interactions energy: -1900.155 where: short stacking energy: -774.533 Base-Backbone interact. energy: -2.956 local terms energy: -796.935427 where: bonds (distance) C4'-P energy: -153.674 bonds (distance) P-C4' energy: -149.430 flat angles C4'-P-C4' energy: -172.005 flat angles P-C4'-P energy: -111.056 tors. eta vs tors. theta energy: -210.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2557.742106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.742106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.742106 (E_RNA) where: Base-Base interactions energy: -1751.554 where: short stacking energy: -762.090 Base-Backbone interact. energy: -4.208 local terms energy: -801.980004 where: bonds (distance) C4'-P energy: -152.163 bonds (distance) P-C4' energy: -161.440 flat angles C4'-P-C4' energy: -170.436 flat angles P-C4'-P energy: -105.054 tors. eta vs tors. theta energy: -212.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2445.504685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.504685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.504685 (E_RNA) where: Base-Base interactions energy: -1695.124 where: short stacking energy: -720.823 Base-Backbone interact. energy: -5.391 local terms energy: -744.989140 where: bonds (distance) C4'-P energy: -121.370 bonds (distance) P-C4' energy: -159.606 flat angles C4'-P-C4' energy: -166.449 flat angles P-C4'-P energy: -113.842 tors. eta vs tors. theta energy: -183.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -2271.728009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.728009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.728009 (E_RNA) where: Base-Base interactions energy: -1554.373 where: short stacking energy: -668.297 Base-Backbone interact. energy: -5.317 local terms energy: -712.037281 where: bonds (distance) C4'-P energy: -126.446 bonds (distance) P-C4' energy: -156.012 flat angles C4'-P-C4' energy: -163.389 flat angles P-C4'-P energy: -102.345 tors. eta vs tors. theta energy: -163.846 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: 8 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -2105.193719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.193719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.193719 (E_RNA) where: Base-Base interactions energy: -1432.370 where: short stacking energy: -610.028 Base-Backbone interact. energy: -0.586 local terms energy: -672.237991 where: bonds (distance) C4'-P energy: -123.512 bonds (distance) P-C4' energy: -163.279 flat angles C4'-P-C4' energy: -140.803 flat angles P-C4'-P energy: -91.292 tors. eta vs tors. theta energy: -153.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1735.618706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.618706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.618706 (E_RNA) where: Base-Base interactions energy: -1144.979 where: short stacking energy: -481.989 Base-Backbone interact. energy: 2.414 local terms energy: -593.053728 where: bonds (distance) C4'-P energy: -124.346 bonds (distance) P-C4' energy: -153.732 flat angles C4'-P-C4' energy: -138.634 flat angles P-C4'-P energy: -79.069 tors. eta vs tors. theta energy: -97.272 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: 316 Temperature: 1.300000 Total energy: -1459.207287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.207287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.207287 (E_RNA) where: Base-Base interactions energy: -923.363 where: short stacking energy: -417.944 Base-Backbone interact. energy: 6.075 local terms energy: -541.918815 where: bonds (distance) C4'-P energy: -124.390 bonds (distance) P-C4' energy: -127.044 flat angles C4'-P-C4' energy: -139.725 flat angles P-C4'-P energy: -79.548 tors. eta vs tors. theta energy: -71.212 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: 10 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -914.806810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.806810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.806810 (E_RNA) where: Base-Base interactions energy: -474.489 where: short stacking energy: -264.739 Base-Backbone interact. energy: -1.352 local terms energy: -438.965988 where: bonds (distance) C4'-P energy: -128.274 bonds (distance) P-C4' energy: -108.796 flat angles C4'-P-C4' energy: -127.902 flat angles P-C4'-P energy: -64.552 tors. eta vs tors. theta energy: -9.441 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: 3 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -3075.553265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.553265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.553265 (E_RNA) where: Base-Base interactions energy: -2199.065 where: short stacking energy: -871.084 Base-Backbone interact. energy: -6.298 local terms energy: -870.191160 where: bonds (distance) C4'-P energy: -152.384 bonds (distance) P-C4' energy: -162.670 flat angles C4'-P-C4' energy: -186.536 flat angles P-C4'-P energy: -127.703 tors. eta vs tors. theta energy: -240.898 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: 317 Temperature: 0.950000 Total energy: -2770.230986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.230986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.230986 (E_RNA) where: Base-Base interactions energy: -1907.966 where: short stacking energy: -808.142 Base-Backbone interact. energy: -5.978 local terms energy: -856.287178 where: bonds (distance) C4'-P energy: -137.837 bonds (distance) P-C4' energy: -172.007 flat angles C4'-P-C4' energy: -187.683 flat angles P-C4'-P energy: -117.884 tors. eta vs tors. theta energy: -240.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2697.540226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.540226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.540226 (E_RNA) where: Base-Base interactions energy: -1829.910 where: short stacking energy: -784.803 Base-Backbone interact. energy: -3.337 local terms energy: -864.293221 where: bonds (distance) C4'-P energy: -161.817 bonds (distance) P-C4' energy: -170.209 flat angles C4'-P-C4' energy: -179.531 flat angles P-C4'-P energy: -123.161 tors. eta vs tors. theta energy: -229.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2570.378341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.378341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.378341 (E_RNA) where: Base-Base interactions energy: -1774.815 where: short stacking energy: -740.746 Base-Backbone interact. energy: 0.146 local terms energy: -795.709008 where: bonds (distance) C4'-P energy: -137.670 bonds (distance) P-C4' energy: -164.303 flat angles C4'-P-C4' energy: -173.814 flat angles P-C4'-P energy: -105.721 tors. eta vs tors. theta energy: -214.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2431.198571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.198571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.198571 (E_RNA) where: Base-Base interactions energy: -1667.200 where: short stacking energy: -688.220 Base-Backbone interact. energy: -3.181 local terms energy: -760.817902 where: bonds (distance) C4'-P energy: -154.523 bonds (distance) P-C4' energy: -151.166 flat angles C4'-P-C4' energy: -163.989 flat angles P-C4'-P energy: -107.411 tors. eta vs tors. theta energy: -183.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -2255.340129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.340129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.340129 (E_RNA) where: Base-Base interactions energy: -1563.892 where: short stacking energy: -629.341 Base-Backbone interact. energy: -1.113 local terms energy: -690.334717 where: bonds (distance) C4'-P energy: -123.100 bonds (distance) P-C4' energy: -149.497 flat angles C4'-P-C4' energy: -152.792 flat angles P-C4'-P energy: -103.222 tors. eta vs tors. theta energy: -161.724 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: 8 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -2147.785777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.785777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.785777 (E_RNA) where: Base-Base interactions energy: -1455.018 where: short stacking energy: -612.303 Base-Backbone interact. energy: -3.832 local terms energy: -688.935342 where: bonds (distance) C4'-P energy: -134.433 bonds (distance) P-C4' energy: -146.387 flat angles C4'-P-C4' energy: -152.177 flat angles P-C4'-P energy: -102.666 tors. eta vs tors. theta energy: -153.273 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: 2 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1739.794642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.794642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.794642 (E_RNA) where: Base-Base interactions energy: -1132.786 where: short stacking energy: -516.908 Base-Backbone interact. energy: 0.218 local terms energy: -607.226693 where: bonds (distance) C4'-P energy: -133.156 bonds (distance) P-C4' energy: -152.465 flat angles C4'-P-C4' energy: -132.338 flat angles P-C4'-P energy: -88.739 tors. eta vs tors. theta energy: -100.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1501.359352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.359352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.359352 (E_RNA) where: Base-Base interactions energy: -977.950 where: short stacking energy: -443.519 Base-Backbone interact. energy: -0.034 local terms energy: -523.375066 where: bonds (distance) C4'-P energy: -108.534 bonds (distance) P-C4' energy: -138.870 flat angles C4'-P-C4' energy: -137.114 flat angles P-C4'-P energy: -70.129 tors. eta vs tors. theta energy: -68.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -908.047392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.047392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.047392 (E_RNA) where: Base-Base interactions energy: -468.727 where: short stacking energy: -254.494 Base-Backbone interact. energy: 0.100 local terms energy: -439.420500 where: bonds (distance) C4'-P energy: -128.334 bonds (distance) P-C4' energy: -113.162 flat angles C4'-P-C4' energy: -112.966 flat angles P-C4'-P energy: -81.033 tors. eta vs tors. theta energy: -3.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -3050.218104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.218104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.218104 (E_RNA) where: Base-Base interactions energy: -2173.581 where: short stacking energy: -871.911 Base-Backbone interact. energy: -1.674 local terms energy: -874.962565 where: bonds (distance) C4'-P energy: -163.373 bonds (distance) P-C4' energy: -174.504 flat angles C4'-P-C4' energy: -164.950 flat angles P-C4'-P energy: -132.789 tors. eta vs tors. theta energy: -239.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2788.252980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.252980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.252980 (E_RNA) where: Base-Base interactions energy: -1949.392 where: short stacking energy: -813.161 Base-Backbone interact. energy: -2.104 local terms energy: -836.757137 where: bonds (distance) C4'-P energy: -145.393 bonds (distance) P-C4' energy: -158.638 flat angles C4'-P-C4' energy: -184.719 flat angles P-C4'-P energy: -119.047 tors. eta vs tors. theta energy: -228.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2707.328926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.328926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.328926 (E_RNA) where: Base-Base interactions energy: -1871.322 where: short stacking energy: -802.081 Base-Backbone interact. energy: 0.834 local terms energy: -836.840401 where: bonds (distance) C4'-P energy: -156.098 bonds (distance) P-C4' energy: -166.657 flat angles C4'-P-C4' energy: -167.528 flat angles P-C4'-P energy: -119.917 tors. eta vs tors. theta energy: -226.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2572.711270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.711270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.711270 (E_RNA) where: Base-Base interactions energy: -1808.651 where: short stacking energy: -785.443 Base-Backbone interact. energy: -4.566 local terms energy: -759.494149 where: bonds (distance) C4'-P energy: -142.362 bonds (distance) P-C4' energy: -139.295 flat angles C4'-P-C4' energy: -169.030 flat angles P-C4'-P energy: -104.059 tors. eta vs tors. theta energy: -204.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2409.219100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.219100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.219100 (E_RNA) where: Base-Base interactions energy: -1667.801 where: short stacking energy: -706.207 Base-Backbone interact. energy: -2.021 local terms energy: -739.397665 where: bonds (distance) C4'-P energy: -141.320 bonds (distance) P-C4' energy: -152.626 flat angles C4'-P-C4' energy: -156.406 flat angles P-C4'-P energy: -103.825 tors. eta vs tors. theta energy: -185.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -2229.166618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.166618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.166618 (E_RNA) where: Base-Base interactions energy: -1543.582 where: short stacking energy: -662.069 Base-Backbone interact. energy: -1.965 local terms energy: -683.619451 where: bonds (distance) C4'-P energy: -134.781 bonds (distance) P-C4' energy: -130.152 flat angles C4'-P-C4' energy: -135.573 flat angles P-C4'-P energy: -113.994 tors. eta vs tors. theta energy: -169.120 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: 8 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -2081.364013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.364013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.364013 (E_RNA) where: Base-Base interactions energy: -1385.492 where: short stacking energy: -600.011 Base-Backbone interact. energy: -5.457 local terms energy: -690.414619 where: bonds (distance) C4'-P energy: -143.471 bonds (distance) P-C4' energy: -154.247 flat angles C4'-P-C4' energy: -145.754 flat angles P-C4'-P energy: -100.910 tors. eta vs tors. theta energy: -146.032 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: 2 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1716.093398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.093398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.093398 (E_RNA) where: Base-Base interactions energy: -1101.355 where: short stacking energy: -484.866 Base-Backbone interact. energy: -0.148 local terms energy: -614.590773 where: bonds (distance) C4'-P energy: -124.118 bonds (distance) P-C4' energy: -154.910 flat angles C4'-P-C4' energy: -135.023 flat angles P-C4'-P energy: -100.259 tors. eta vs tors. theta energy: -100.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1426.462248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.462248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.462248 (E_RNA) where: Base-Base interactions energy: -864.864 where: short stacking energy: -402.479 Base-Backbone interact. energy: -1.041 local terms energy: -560.557028 where: bonds (distance) C4'-P energy: -151.356 bonds (distance) P-C4' energy: -150.671 flat angles C4'-P-C4' energy: -142.263 flat angles P-C4'-P energy: -59.618 tors. eta vs tors. theta energy: -56.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -907.909712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.909712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.909712 (E_RNA) where: Base-Base interactions energy: -463.503 where: short stacking energy: -223.835 Base-Backbone interact. energy: -1.354 local terms energy: -443.053311 where: bonds (distance) C4'-P energy: -135.534 bonds (distance) P-C4' energy: -123.705 flat angles C4'-P-C4' energy: -141.519 flat angles P-C4'-P energy: -57.314 tors. eta vs tors. theta energy: 15.019 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: 319 Temperature: 0.900000 Total energy: -3074.667452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.667452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.667452 (E_RNA) where: Base-Base interactions energy: -2169.146 where: short stacking energy: -838.482 Base-Backbone interact. energy: -6.780 local terms energy: -898.741028 where: bonds (distance) C4'-P energy: -162.286 bonds (distance) P-C4' energy: -181.749 flat angles C4'-P-C4' energy: -181.797 flat angles P-C4'-P energy: -136.015 tors. eta vs tors. theta energy: -236.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2815.235798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.235798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.235798 (E_RNA) where: Base-Base interactions energy: -1976.903 where: short stacking energy: -851.002 Base-Backbone interact. energy: -0.563 local terms energy: -837.769718 where: bonds (distance) C4'-P energy: -155.093 bonds (distance) P-C4' energy: -181.264 flat angles C4'-P-C4' energy: -170.703 flat angles P-C4'-P energy: -108.517 tors. eta vs tors. theta energy: -222.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2691.700816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.700816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.700816 (E_RNA) where: Base-Base interactions energy: -1852.610 where: short stacking energy: -774.593 Base-Backbone interact. energy: 0.093 local terms energy: -839.184336 where: bonds (distance) C4'-P energy: -156.623 bonds (distance) P-C4' energy: -162.173 flat angles C4'-P-C4' energy: -180.916 flat angles P-C4'-P energy: -129.030 tors. eta vs tors. theta energy: -210.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2600.478830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.478830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.478830 (E_RNA) where: Base-Base interactions energy: -1771.686 where: short stacking energy: -751.183 Base-Backbone interact. energy: -3.101 local terms energy: -825.691518 where: bonds (distance) C4'-P energy: -144.585 bonds (distance) P-C4' energy: -175.657 flat angles C4'-P-C4' energy: -178.347 flat angles P-C4'-P energy: -116.017 tors. eta vs tors. theta energy: -211.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2368.989935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.989935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.989935 (E_RNA) where: Base-Base interactions energy: -1609.492 where: short stacking energy: -687.612 Base-Backbone interact. energy: -5.067 local terms energy: -754.430373 where: bonds (distance) C4'-P energy: -148.511 bonds (distance) P-C4' energy: -162.150 flat angles C4'-P-C4' energy: -152.788 flat angles P-C4'-P energy: -110.773 tors. eta vs tors. theta energy: -180.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -2238.724054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.724054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.724054 (E_RNA) where: Base-Base interactions energy: -1524.451 where: short stacking energy: -641.188 Base-Backbone interact. energy: -0.518 local terms energy: -713.755625 where: bonds (distance) C4'-P energy: -136.442 bonds (distance) P-C4' energy: -164.104 flat angles C4'-P-C4' energy: -152.290 flat angles P-C4'-P energy: -91.908 tors. eta vs tors. theta energy: -169.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1990.512004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.512004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.512004 (E_RNA) where: Base-Base interactions energy: -1329.669 where: short stacking energy: -565.686 Base-Backbone interact. energy: 1.218 local terms energy: -662.060205 where: bonds (distance) C4'-P energy: -127.424 bonds (distance) P-C4' energy: -147.863 flat angles C4'-P-C4' energy: -153.379 flat angles P-C4'-P energy: -96.334 tors. eta vs tors. theta energy: -137.060 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: 319 Temperature: 1.250000 Total energy: -1733.137786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.137786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.137786 (E_RNA) where: Base-Base interactions energy: -1144.306 where: short stacking energy: -506.437 Base-Backbone interact. energy: 1.716 local terms energy: -590.547633 where: bonds (distance) C4'-P energy: -122.387 bonds (distance) P-C4' energy: -149.547 flat angles C4'-P-C4' energy: -135.638 flat angles P-C4'-P energy: -92.791 tors. eta vs tors. theta energy: -90.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1427.598334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.598334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.598334 (E_RNA) where: Base-Base interactions energy: -895.647 where: short stacking energy: -404.025 Base-Backbone interact. energy: -4.249 local terms energy: -527.703213 where: bonds (distance) C4'-P energy: -119.165 bonds (distance) P-C4' energy: -123.780 flat angles C4'-P-C4' energy: -139.559 flat angles P-C4'-P energy: -83.273 tors. eta vs tors. theta energy: -61.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -897.983636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.983636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.983636 (E_RNA) where: Base-Base interactions energy: -489.760 where: short stacking energy: -248.418 Base-Backbone interact. energy: -1.229 local terms energy: -406.994528 where: bonds (distance) C4'-P energy: -124.586 bonds (distance) P-C4' energy: -127.679 flat angles C4'-P-C4' energy: -89.580 flat angles P-C4'-P energy: -62.706 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: 3 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -3115.117766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.117766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.117766 (E_RNA) where: Base-Base interactions energy: -2218.615 where: short stacking energy: -888.677 Base-Backbone interact. energy: -5.636 local terms energy: -890.867494 where: bonds (distance) C4'-P energy: -155.170 bonds (distance) P-C4' energy: -164.994 flat angles C4'-P-C4' energy: -185.594 flat angles P-C4'-P energy: -136.649 tors. eta vs tors. theta energy: -248.461 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: 5 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2812.741368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.741368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.741368 (E_RNA) where: Base-Base interactions energy: -1971.468 where: short stacking energy: -808.309 Base-Backbone interact. energy: -2.485 local terms energy: -838.788521 where: bonds (distance) C4'-P energy: -151.291 bonds (distance) P-C4' energy: -166.051 flat angles C4'-P-C4' energy: -185.041 flat angles P-C4'-P energy: -119.427 tors. eta vs tors. theta energy: -216.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2727.482920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.482920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.482920 (E_RNA) where: Base-Base interactions energy: -1916.624 where: short stacking energy: -807.301 Base-Backbone interact. energy: -0.334 local terms energy: -810.525038 where: bonds (distance) C4'-P energy: -150.339 bonds (distance) P-C4' energy: -161.165 flat angles C4'-P-C4' energy: -167.194 flat angles P-C4'-P energy: -113.163 tors. eta vs tors. theta energy: -218.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2583.356287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.356287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.356287 (E_RNA) where: Base-Base interactions energy: -1806.483 where: short stacking energy: -797.859 Base-Backbone interact. energy: 1.512 local terms energy: -778.384849 where: bonds (distance) C4'-P energy: -145.104 bonds (distance) P-C4' energy: -133.527 flat angles C4'-P-C4' energy: -164.034 flat angles P-C4'-P energy: -122.330 tors. eta vs tors. theta energy: -213.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2390.580960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.580960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.580960 (E_RNA) where: Base-Base interactions energy: -1644.295 where: short stacking energy: -695.998 Base-Backbone interact. energy: -2.041 local terms energy: -744.244657 where: bonds (distance) C4'-P energy: -158.165 bonds (distance) P-C4' energy: -149.861 flat angles C4'-P-C4' energy: -175.701 flat angles P-C4'-P energy: -87.473 tors. eta vs tors. theta energy: -173.045 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: 320 Temperature: 1.150000 Total energy: -2269.161092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.161092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.161092 (E_RNA) where: Base-Base interactions energy: -1548.796 where: short stacking energy: -673.153 Base-Backbone interact. energy: -1.098 local terms energy: -719.478281 where: bonds (distance) C4'-P energy: -125.944 bonds (distance) P-C4' energy: -166.045 flat angles C4'-P-C4' energy: -161.374 flat angles P-C4'-P energy: -107.505 tors. eta vs tors. theta energy: -158.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.211 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -2047.326869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.326869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.326869 (E_RNA) where: Base-Base interactions energy: -1374.607 where: short stacking energy: -599.005 Base-Backbone interact. energy: -3.592 local terms energy: -669.127822 where: bonds (distance) C4'-P energy: -138.666 bonds (distance) P-C4' energy: -136.621 flat angles C4'-P-C4' energy: -155.720 flat angles P-C4'-P energy: -96.258 tors. eta vs tors. theta energy: -141.863 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: 8, replica: 2 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1739.301168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.301168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.301168 (E_RNA) where: Base-Base interactions energy: -1106.838 where: short stacking energy: -483.226 Base-Backbone interact. energy: -2.714 local terms energy: -629.749601 where: bonds (distance) C4'-P energy: -131.996 bonds (distance) P-C4' energy: -161.486 flat angles C4'-P-C4' energy: -145.412 flat angles P-C4'-P energy: -87.642 tors. eta vs tors. theta energy: -103.214 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: 320 Temperature: 1.300000 Total energy: -1467.071314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.071314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.071314 (E_RNA) where: Base-Base interactions energy: -922.479 where: short stacking energy: -431.886 Base-Backbone interact. energy: -3.521 local terms energy: -541.071441 where: bonds (distance) C4'-P energy: -129.795 bonds (distance) P-C4' energy: -141.874 flat angles C4'-P-C4' energy: -133.520 flat angles P-C4'-P energy: -66.044 tors. eta vs tors. theta energy: -69.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -922.400417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.400417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.400417 (E_RNA) where: Base-Base interactions energy: -480.183 where: short stacking energy: -231.288 Base-Backbone interact. energy: -0.399 local terms energy: -441.817728 where: bonds (distance) C4'-P energy: -144.683 bonds (distance) P-C4' energy: -143.071 flat angles C4'-P-C4' energy: -90.463 flat angles P-C4'-P energy: -66.916 tors. eta vs tors. theta energy: 3.315 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: 321 Temperature: 0.900000 Total energy: -3102.399155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.399155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.399155 (E_RNA) where: Base-Base interactions energy: -2213.657 where: short stacking energy: -872.803 Base-Backbone interact. energy: -6.315 local terms energy: -882.427966 where: bonds (distance) C4'-P energy: -145.432 bonds (distance) P-C4' energy: -179.794 flat angles C4'-P-C4' energy: -191.166 flat angles P-C4'-P energy: -119.248 tors. eta vs tors. theta energy: -246.788 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: 321 Temperature: 0.950000 Total energy: -2827.973717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.973717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.973717 (E_RNA) where: Base-Base interactions energy: -1968.852 where: short stacking energy: -803.366 Base-Backbone interact. energy: -3.939 local terms energy: -855.183373 where: bonds (distance) C4'-P energy: -161.890 bonds (distance) P-C4' energy: -159.634 flat angles C4'-P-C4' energy: -175.405 flat angles P-C4'-P energy: -132.675 tors. eta vs tors. theta energy: -225.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2720.923966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.923966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.923966 (E_RNA) where: Base-Base interactions energy: -1877.425 where: short stacking energy: -829.031 Base-Backbone interact. energy: -3.678 local terms energy: -839.821418 where: bonds (distance) C4'-P energy: -145.554 bonds (distance) P-C4' energy: -159.871 flat angles C4'-P-C4' energy: -180.321 flat angles P-C4'-P energy: -120.167 tors. eta vs tors. theta energy: -233.909 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: 1 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2563.796477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.796477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.796477 (E_RNA) where: Base-Base interactions energy: -1776.814 where: short stacking energy: -707.525 Base-Backbone interact. energy: -3.800 local terms energy: -783.182943 where: bonds (distance) C4'-P energy: -162.119 bonds (distance) P-C4' energy: -141.994 flat angles C4'-P-C4' energy: -171.684 flat angles P-C4'-P energy: -113.763 tors. eta vs tors. theta energy: -193.623 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: 4 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2345.712554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.712554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.712554 (E_RNA) where: Base-Base interactions energy: -1587.884 where: short stacking energy: -657.147 Base-Backbone interact. energy: -4.528 local terms energy: -753.300535 where: bonds (distance) C4'-P energy: -154.135 bonds (distance) P-C4' energy: -142.814 flat angles C4'-P-C4' energy: -177.015 flat angles P-C4'-P energy: -106.741 tors. eta vs tors. theta energy: -172.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -2225.075565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.075565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.075565 (E_RNA) where: Base-Base interactions energy: -1504.482 where: short stacking energy: -649.173 Base-Backbone interact. energy: -3.682 local terms energy: -717.057939 where: bonds (distance) C4'-P energy: -146.583 bonds (distance) P-C4' energy: -149.664 flat angles C4'-P-C4' energy: -156.425 flat angles P-C4'-P energy: -102.839 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: 0.146 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -2061.942877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.942877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.942877 (E_RNA) where: Base-Base interactions energy: -1378.134 where: short stacking energy: -572.982 Base-Backbone interact. energy: -5.989 local terms energy: -677.820392 where: bonds (distance) C4'-P energy: -163.040 bonds (distance) P-C4' energy: -134.542 flat angles C4'-P-C4' energy: -150.074 flat angles P-C4'-P energy: -87.490 tors. eta vs tors. theta energy: -142.674 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: 2 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1730.225085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.225085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.225085 (E_RNA) where: Base-Base interactions energy: -1127.039 where: short stacking energy: -506.827 Base-Backbone interact. energy: -1.446 local terms energy: -601.739818 where: bonds (distance) C4'-P energy: -124.617 bonds (distance) P-C4' energy: -143.519 flat angles C4'-P-C4' energy: -131.409 flat angles P-C4'-P energy: -96.497 tors. eta vs tors. theta energy: -105.699 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: 321 Temperature: 1.300000 Total energy: -1488.997898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.997898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.997898 (E_RNA) where: Base-Base interactions energy: -926.057 where: short stacking energy: -402.027 Base-Backbone interact. energy: 2.968 local terms energy: -565.909219 where: bonds (distance) C4'-P energy: -127.509 bonds (distance) P-C4' energy: -136.556 flat angles C4'-P-C4' energy: -131.430 flat angles P-C4'-P energy: -102.437 tors. eta vs tors. theta energy: -67.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -921.803967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.803967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.803967 (E_RNA) where: Base-Base interactions energy: -479.691 where: short stacking energy: -268.576 Base-Backbone interact. energy: 2.075 local terms energy: -444.187807 where: bonds (distance) C4'-P energy: -118.539 bonds (distance) P-C4' energy: -139.650 flat angles C4'-P-C4' energy: -107.499 flat angles P-C4'-P energy: -68.842 tors. eta vs tors. theta energy: -9.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -3081.449147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.449147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.449147 (E_RNA) where: Base-Base interactions energy: -2193.585 where: short stacking energy: -851.812 Base-Backbone interact. energy: -6.237 local terms energy: -881.627810 where: bonds (distance) C4'-P energy: -161.231 bonds (distance) P-C4' energy: -161.257 flat angles C4'-P-C4' energy: -183.770 flat angles P-C4'-P energy: -134.669 tors. eta vs tors. theta energy: -240.702 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: 2, replica: 5 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2899.892141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.892141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.892141 (E_RNA) where: Base-Base interactions energy: -2024.937 where: short stacking energy: -866.241 Base-Backbone interact. energy: 1.311 local terms energy: -876.266683 where: bonds (distance) C4'-P energy: -158.837 bonds (distance) P-C4' energy: -162.252 flat angles C4'-P-C4' energy: -185.654 flat angles P-C4'-P energy: -133.087 tors. eta vs tors. theta energy: -236.437 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: 7 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2699.202890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.202890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.202890 (E_RNA) where: Base-Base interactions energy: -1855.293 where: short stacking energy: -785.115 Base-Backbone interact. energy: 7.166 local terms energy: -851.075825 where: bonds (distance) C4'-P energy: -155.718 bonds (distance) P-C4' energy: -165.950 flat angles C4'-P-C4' energy: -182.795 flat angles P-C4'-P energy: -114.833 tors. eta vs tors. theta energy: -231.781 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: 4, replica: 1 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2619.386271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.386271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.386271 (E_RNA) where: Base-Base interactions energy: -1799.938 where: short stacking energy: -746.563 Base-Backbone interact. energy: -0.102 local terms energy: -819.346389 where: bonds (distance) C4'-P energy: -150.462 bonds (distance) P-C4' energy: -159.915 flat angles C4'-P-C4' energy: -157.189 flat angles P-C4'-P energy: -123.865 tors. eta vs tors. theta energy: -227.915 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: 5, replica: 4 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2360.880354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.880354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.880354 (E_RNA) where: Base-Base interactions energy: -1612.669 where: short stacking energy: -694.143 Base-Backbone interact. energy: -1.869 local terms energy: -746.342873 where: bonds (distance) C4'-P energy: -125.026 bonds (distance) P-C4' energy: -155.652 flat angles C4'-P-C4' energy: -169.778 flat angles P-C4'-P energy: -108.548 tors. eta vs tors. theta energy: -187.338 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: 322 Temperature: 1.150000 Total energy: -2211.049222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.049222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.049222 (E_RNA) where: Base-Base interactions energy: -1507.563 where: short stacking energy: -642.318 Base-Backbone interact. energy: -2.593 local terms energy: -700.892810 where: bonds (distance) C4'-P energy: -144.371 bonds (distance) P-C4' energy: -136.989 flat angles C4'-P-C4' energy: -160.899 flat angles P-C4'-P energy: -98.045 tors. eta vs tors. theta energy: -160.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -2012.376464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.376464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.376464 (E_RNA) where: Base-Base interactions energy: -1338.140 where: short stacking energy: -545.969 Base-Backbone interact. energy: 3.243 local terms energy: -677.479333 where: bonds (distance) C4'-P energy: -134.658 bonds (distance) P-C4' energy: -148.479 flat angles C4'-P-C4' energy: -158.032 flat angles P-C4'-P energy: -117.482 tors. eta vs tors. theta energy: -118.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1761.908753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.908753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.908753 (E_RNA) where: Base-Base interactions energy: -1139.292 where: short stacking energy: -513.924 Base-Backbone interact. energy: -2.823 local terms energy: -620.475426 where: bonds (distance) C4'-P energy: -133.272 bonds (distance) P-C4' energy: -126.642 flat angles C4'-P-C4' energy: -149.764 flat angles P-C4'-P energy: -97.851 tors. eta vs tors. theta energy: -112.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.682 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1515.498216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.498216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.498216 (E_RNA) where: Base-Base interactions energy: -980.763 where: short stacking energy: -448.403 Base-Backbone interact. energy: -0.853 local terms energy: -533.882163 where: bonds (distance) C4'-P energy: -124.004 bonds (distance) P-C4' energy: -127.295 flat angles C4'-P-C4' energy: -121.691 flat angles P-C4'-P energy: -89.028 tors. eta vs tors. theta energy: -71.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -865.647141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.647141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.647141 (E_RNA) where: Base-Base interactions energy: -415.807 where: short stacking energy: -234.233 Base-Backbone interact. energy: 0.698 local terms energy: -450.538368 where: bonds (distance) C4'-P energy: -125.189 bonds (distance) P-C4' energy: -129.823 flat angles C4'-P-C4' energy: -126.597 flat angles P-C4'-P energy: -78.584 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: 3 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -3055.435316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.435316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.435316 (E_RNA) where: Base-Base interactions energy: -2175.457 where: short stacking energy: -857.464 Base-Backbone interact. energy: -1.793 local terms energy: -878.185280 where: bonds (distance) C4'-P energy: -171.994 bonds (distance) P-C4' energy: -161.928 flat angles C4'-P-C4' energy: -185.940 flat angles P-C4'-P energy: -121.744 tors. eta vs tors. theta energy: -236.580 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: 323 Temperature: 0.950000 Total energy: -2888.611038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.611038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.611038 (E_RNA) where: Base-Base interactions energy: -2017.977 where: short stacking energy: -847.715 Base-Backbone interact. energy: -4.113 local terms energy: -866.521442 where: bonds (distance) C4'-P energy: -173.264 bonds (distance) P-C4' energy: -181.110 flat angles C4'-P-C4' energy: -175.328 flat angles P-C4'-P energy: -111.766 tors. eta vs tors. theta energy: -225.054 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: 323 Temperature: 1.000000 Total energy: -2639.008209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.008209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.008209 (E_RNA) where: Base-Base interactions energy: -1806.164 where: short stacking energy: -765.291 Base-Backbone interact. energy: -3.108 local terms energy: -829.737133 where: bonds (distance) C4'-P energy: -143.632 bonds (distance) P-C4' energy: -167.095 flat angles C4'-P-C4' energy: -181.819 flat angles P-C4'-P energy: -118.415 tors. eta vs tors. theta energy: -218.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2576.635674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.635674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.635674 (E_RNA) where: Base-Base interactions energy: -1788.690 where: short stacking energy: -756.935 Base-Backbone interact. energy: -0.695 local terms energy: -787.250534 where: bonds (distance) C4'-P energy: -148.835 bonds (distance) P-C4' energy: -153.914 flat angles C4'-P-C4' energy: -170.747 flat angles P-C4'-P energy: -108.714 tors. eta vs tors. theta energy: -205.041 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: 5, replica: 4 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2336.744871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.744871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.744871 (E_RNA) where: Base-Base interactions energy: -1595.058 where: short stacking energy: -691.682 Base-Backbone interact. energy: -0.399 local terms energy: -741.287843 where: bonds (distance) C4'-P energy: -146.717 bonds (distance) P-C4' energy: -146.035 flat angles C4'-P-C4' energy: -163.244 flat angles P-C4'-P energy: -103.790 tors. eta vs tors. theta energy: -181.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -2160.662991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.662991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.662991 (E_RNA) where: Base-Base interactions energy: -1483.153 where: short stacking energy: -608.216 Base-Backbone interact. energy: -0.155 local terms energy: -677.354639 where: bonds (distance) C4'-P energy: -122.658 bonds (distance) P-C4' energy: -154.069 flat angles C4'-P-C4' energy: -158.614 flat angles P-C4'-P energy: -103.058 tors. eta vs tors. theta energy: -138.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -2007.049741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.049741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.049741 (E_RNA) where: Base-Base interactions energy: -1344.783 where: short stacking energy: -592.454 Base-Backbone interact. energy: 1.955 local terms energy: -664.221033 where: bonds (distance) C4'-P energy: -131.036 bonds (distance) P-C4' energy: -139.911 flat angles C4'-P-C4' energy: -160.630 flat angles P-C4'-P energy: -91.522 tors. eta vs tors. theta energy: -141.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1674.103343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.103343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.103343 (E_RNA) where: Base-Base interactions energy: -1085.824 where: short stacking energy: -498.704 Base-Backbone interact. energy: 0.042 local terms energy: -588.321444 where: bonds (distance) C4'-P energy: -128.714 bonds (distance) P-C4' energy: -143.015 flat angles C4'-P-C4' energy: -140.005 flat angles P-C4'-P energy: -80.488 tors. eta vs tors. theta energy: -96.099 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: 323 Temperature: 1.300000 Total energy: -1455.091324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.091324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.091324 (E_RNA) where: Base-Base interactions energy: -912.244 where: short stacking energy: -400.003 Base-Backbone interact. energy: 0.275 local terms energy: -543.121709 where: bonds (distance) C4'-P energy: -122.088 bonds (distance) P-C4' energy: -149.978 flat angles C4'-P-C4' energy: -128.863 flat angles P-C4'-P energy: -87.738 tors. eta vs tors. theta energy: -54.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -909.721836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.721836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.721836 (E_RNA) where: Base-Base interactions energy: -452.623 where: short stacking energy: -264.179 Base-Backbone interact. energy: -1.157 local terms energy: -455.941632 where: bonds (distance) C4'-P energy: -132.177 bonds (distance) P-C4' energy: -126.107 flat angles C4'-P-C4' energy: -107.995 flat angles P-C4'-P energy: -76.079 tors. eta vs tors. theta energy: -13.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -3067.929700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.929700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.929700 (E_RNA) where: Base-Base interactions energy: -2197.933 where: short stacking energy: -854.184 Base-Backbone interact. energy: -4.622 local terms energy: -865.374406 where: bonds (distance) C4'-P energy: -166.412 bonds (distance) P-C4' energy: -174.445 flat angles C4'-P-C4' energy: -182.737 flat angles P-C4'-P energy: -108.337 tors. eta vs tors. theta energy: -233.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2837.553821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.553821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.553821 (E_RNA) where: Base-Base interactions energy: -1966.836 where: short stacking energy: -821.727 Base-Backbone interact. energy: -1.024 local terms energy: -869.693887 where: bonds (distance) C4'-P energy: -155.809 bonds (distance) P-C4' energy: -163.621 flat angles C4'-P-C4' energy: -191.329 flat angles P-C4'-P energy: -121.740 tors. eta vs tors. theta energy: -237.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2656.443533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.443533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.443533 (E_RNA) where: Base-Base interactions energy: -1827.699 where: short stacking energy: -788.244 Base-Backbone interact. energy: -4.390 local terms energy: -824.354389 where: bonds (distance) C4'-P energy: -142.437 bonds (distance) P-C4' energy: -177.400 flat angles C4'-P-C4' energy: -164.818 flat angles P-C4'-P energy: -116.009 tors. eta vs tors. theta energy: -223.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2598.964179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.964179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.964179 (E_RNA) where: Base-Base interactions energy: -1768.865 where: short stacking energy: -764.256 Base-Backbone interact. energy: 1.433 local terms energy: -831.531581 where: bonds (distance) C4'-P energy: -149.694 bonds (distance) P-C4' energy: -155.784 flat angles C4'-P-C4' energy: -174.202 flat angles P-C4'-P energy: -132.277 tors. eta vs tors. theta energy: -219.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2381.247299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.247299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.247299 (E_RNA) where: Base-Base interactions energy: -1632.491 where: short stacking energy: -686.099 Base-Backbone interact. energy: 0.204 local terms energy: -748.959817 where: bonds (distance) C4'-P energy: -152.503 bonds (distance) P-C4' energy: -146.635 flat angles C4'-P-C4' energy: -169.063 flat angles P-C4'-P energy: -113.564 tors. eta vs tors. theta energy: -167.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -2147.891421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.891421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.891421 (E_RNA) where: Base-Base interactions energy: -1444.760 where: short stacking energy: -629.946 Base-Backbone interact. energy: -3.621 local terms energy: -699.509845 where: bonds (distance) C4'-P energy: -130.260 bonds (distance) P-C4' energy: -158.488 flat angles C4'-P-C4' energy: -156.293 flat angles P-C4'-P energy: -100.680 tors. eta vs tors. theta energy: -153.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -2008.764924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.764924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.764924 (E_RNA) where: Base-Base interactions energy: -1329.953 where: short stacking energy: -564.645 Base-Backbone interact. energy: 5.070 local terms energy: -683.881712 where: bonds (distance) C4'-P energy: -144.978 bonds (distance) P-C4' energy: -150.801 flat angles C4'-P-C4' energy: -143.926 flat angles P-C4'-P energy: -111.954 tors. eta vs tors. theta energy: -132.224 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: 2 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1637.053106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.053106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.053106 (E_RNA) where: Base-Base interactions energy: -1079.937 where: short stacking energy: -493.569 Base-Backbone interact. energy: -0.772 local terms energy: -556.343652 where: bonds (distance) C4'-P energy: -142.446 bonds (distance) P-C4' energy: -144.107 flat angles C4'-P-C4' energy: -106.115 flat angles P-C4'-P energy: -72.454 tors. eta vs tors. theta energy: -91.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1500.833525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.833525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.833525 (E_RNA) where: Base-Base interactions energy: -929.260 where: short stacking energy: -424.179 Base-Backbone interact. energy: -0.402 local terms energy: -571.171233 where: bonds (distance) C4'-P energy: -123.853 bonds (distance) P-C4' energy: -139.506 flat angles C4'-P-C4' energy: -152.681 flat angles P-C4'-P energy: -74.852 tors. eta vs tors. theta energy: -80.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -761.171200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.171200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.171200 (E_RNA) where: Base-Base interactions energy: -312.671 where: short stacking energy: -195.152 Base-Backbone interact. energy: 7.108 local terms energy: -455.608070 where: bonds (distance) C4'-P energy: -136.221 bonds (distance) P-C4' energy: -156.816 flat angles C4'-P-C4' energy: -124.024 flat angles P-C4'-P energy: -62.478 tors. eta vs tors. theta energy: 23.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -3052.781259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.781259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.781259 (E_RNA) where: Base-Base interactions energy: -2166.459 where: short stacking energy: -869.305 Base-Backbone interact. energy: -6.339 local terms energy: -879.983727 where: bonds (distance) C4'-P energy: -164.359 bonds (distance) P-C4' energy: -170.084 flat angles C4'-P-C4' energy: -180.080 flat angles P-C4'-P energy: -123.170 tors. eta vs tors. theta energy: -242.291 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: 325 Temperature: 0.950000 Total energy: -2856.970983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.970983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.970983 (E_RNA) where: Base-Base interactions energy: -1988.339 where: short stacking energy: -853.285 Base-Backbone interact. energy: -6.115 local terms energy: -862.517549 where: bonds (distance) C4'-P energy: -146.912 bonds (distance) P-C4' energy: -166.631 flat angles C4'-P-C4' energy: -195.960 flat angles P-C4'-P energy: -122.904 tors. eta vs tors. theta energy: -230.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2648.585088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.585088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.585088 (E_RNA) where: Base-Base interactions energy: -1842.417 where: short stacking energy: -778.758 Base-Backbone interact. energy: -2.025 local terms energy: -804.143469 where: bonds (distance) C4'-P energy: -150.285 bonds (distance) P-C4' energy: -151.705 flat angles C4'-P-C4' energy: -173.024 flat angles P-C4'-P energy: -115.919 tors. eta vs tors. theta energy: -213.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2547.804532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.804532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.804532 (E_RNA) where: Base-Base interactions energy: -1719.462 where: short stacking energy: -732.985 Base-Backbone interact. energy: -3.713 local terms energy: -824.629399 where: bonds (distance) C4'-P energy: -142.945 bonds (distance) P-C4' energy: -178.467 flat angles C4'-P-C4' energy: -177.834 flat angles P-C4'-P energy: -116.985 tors. eta vs tors. theta energy: -208.398 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: 4 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2278.334167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.334167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.334167 (E_RNA) where: Base-Base interactions energy: -1579.074 where: short stacking energy: -659.863 Base-Backbone interact. energy: 1.041 local terms energy: -700.301028 where: bonds (distance) C4'-P energy: -133.781 bonds (distance) P-C4' energy: -124.287 flat angles C4'-P-C4' energy: -164.555 flat angles P-C4'-P energy: -115.155 tors. eta vs tors. theta energy: -162.522 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: 6 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -2131.463602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.463602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.463602 (E_RNA) where: Base-Base interactions energy: -1478.371 where: short stacking energy: -628.340 Base-Backbone interact. energy: 1.781 local terms energy: -654.873292 where: bonds (distance) C4'-P energy: -127.288 bonds (distance) P-C4' energy: -132.914 flat angles C4'-P-C4' energy: -168.428 flat angles P-C4'-P energy: -76.546 tors. eta vs tors. theta energy: -149.697 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: 7, replica: 8 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -2024.247853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.247853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.247853 (E_RNA) where: Base-Base interactions energy: -1358.983 where: short stacking energy: -582.013 Base-Backbone interact. energy: 0.030 local terms energy: -665.294485 where: bonds (distance) C4'-P energy: -123.121 bonds (distance) P-C4' energy: -149.994 flat angles C4'-P-C4' energy: -159.854 flat angles P-C4'-P energy: -90.980 tors. eta vs tors. theta energy: -141.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1640.452227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.452227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.452227 (E_RNA) where: Base-Base interactions energy: -1016.166 where: short stacking energy: -463.302 Base-Backbone interact. energy: -1.383 local terms energy: -622.903612 where: bonds (distance) C4'-P energy: -149.670 bonds (distance) P-C4' energy: -147.208 flat angles C4'-P-C4' energy: -139.405 flat angles P-C4'-P energy: -95.658 tors. eta vs tors. theta energy: -90.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1524.347773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.347773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.347773 (E_RNA) where: Base-Base interactions energy: -977.438 where: short stacking energy: -440.778 Base-Backbone interact. energy: -1.722 local terms energy: -545.187510 where: bonds (distance) C4'-P energy: -136.569 bonds (distance) P-C4' energy: -134.700 flat angles C4'-P-C4' energy: -128.605 flat angles P-C4'-P energy: -74.110 tors. eta vs tors. theta energy: -71.204 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: 10 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -793.675221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.675221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.675221 (E_RNA) where: Base-Base interactions energy: -373.585 where: short stacking energy: -240.434 Base-Backbone interact. energy: 10.898 local terms energy: -430.987953 where: bonds (distance) C4'-P energy: -144.295 bonds (distance) P-C4' energy: -118.538 flat angles C4'-P-C4' energy: -121.696 flat angles P-C4'-P energy: -56.069 tors. eta vs tors. theta energy: 9.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -3063.848425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.848425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.848425 (E_RNA) where: Base-Base interactions energy: -2165.495 where: short stacking energy: -866.506 Base-Backbone interact. energy: -3.063 local terms energy: -895.290353 where: bonds (distance) C4'-P energy: -157.949 bonds (distance) P-C4' energy: -176.783 flat angles C4'-P-C4' energy: -193.647 flat angles P-C4'-P energy: -130.672 tors. eta vs tors. theta energy: -236.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2845.133933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.133933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.133933 (E_RNA) where: Base-Base interactions energy: -1988.739 where: short stacking energy: -820.036 Base-Backbone interact. energy: -1.613 local terms energy: -854.781961 where: bonds (distance) C4'-P energy: -152.969 bonds (distance) P-C4' energy: -156.215 flat angles C4'-P-C4' energy: -182.377 flat angles P-C4'-P energy: -136.011 tors. eta vs tors. theta energy: -227.209 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: 7 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2666.197390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.197390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.197390 (E_RNA) where: Base-Base interactions energy: -1839.275 where: short stacking energy: -781.954 Base-Backbone interact. energy: -2.021 local terms energy: -824.901174 where: bonds (distance) C4'-P energy: -149.554 bonds (distance) P-C4' energy: -159.756 flat angles C4'-P-C4' energy: -179.279 flat angles P-C4'-P energy: -127.189 tors. eta vs tors. theta energy: -209.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2570.275040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.275040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.275040 (E_RNA) where: Base-Base interactions energy: -1788.273 where: short stacking energy: -779.348 Base-Backbone interact. energy: 3.487 local terms energy: -785.489674 where: bonds (distance) C4'-P energy: -149.014 bonds (distance) P-C4' energy: -142.150 flat angles C4'-P-C4' energy: -165.021 flat angles P-C4'-P energy: -118.677 tors. eta vs tors. theta energy: -210.628 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: 4 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2295.753278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.753278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.753278 (E_RNA) where: Base-Base interactions energy: -1525.443 where: short stacking energy: -673.700 Base-Backbone interact. energy: -1.502 local terms energy: -768.808422 where: bonds (distance) C4'-P energy: -147.533 bonds (distance) P-C4' energy: -149.457 flat angles C4'-P-C4' energy: -169.207 flat angles P-C4'-P energy: -127.557 tors. eta vs tors. theta energy: -175.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -2172.830010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.830010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.830010 (E_RNA) where: Base-Base interactions energy: -1458.741 where: short stacking energy: -638.692 Base-Backbone interact. energy: 5.032 local terms energy: -719.120425 where: bonds (distance) C4'-P energy: -139.385 bonds (distance) P-C4' energy: -147.729 flat angles C4'-P-C4' energy: -164.775 flat angles P-C4'-P energy: -96.525 tors. eta vs tors. theta energy: -170.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -2005.636677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.636677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.636677 (E_RNA) where: Base-Base interactions energy: -1361.844 where: short stacking energy: -581.724 Base-Backbone interact. energy: -1.697 local terms energy: -642.096221 where: bonds (distance) C4'-P energy: -122.900 bonds (distance) P-C4' energy: -146.337 flat angles C4'-P-C4' energy: -143.748 flat angles P-C4'-P energy: -92.126 tors. eta vs tors. theta energy: -136.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1618.570350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.570350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.570350 (E_RNA) where: Base-Base interactions energy: -1031.014 where: short stacking energy: -456.917 Base-Backbone interact. energy: 0.017 local terms energy: -587.573028 where: bonds (distance) C4'-P energy: -138.343 bonds (distance) P-C4' energy: -165.386 flat angles C4'-P-C4' energy: -117.309 flat angles P-C4'-P energy: -73.484 tors. eta vs tors. theta energy: -93.051 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: 326 Temperature: 1.300000 Total energy: -1529.802318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.802318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.802318 (E_RNA) where: Base-Base interactions energy: -975.624 where: short stacking energy: -419.463 Base-Backbone interact. energy: 6.658 local terms energy: -560.835707 where: bonds (distance) C4'-P energy: -130.448 bonds (distance) P-C4' energy: -148.645 flat angles C4'-P-C4' energy: -128.030 flat angles P-C4'-P energy: -85.209 tors. eta vs tors. theta energy: -68.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -822.398647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.398647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.398647 (E_RNA) where: Base-Base interactions energy: -371.267 where: short stacking energy: -234.609 Base-Backbone interact. energy: -1.317 local terms energy: -449.814354 where: bonds (distance) C4'-P energy: -148.013 bonds (distance) P-C4' energy: -128.790 flat angles C4'-P-C4' energy: -99.857 flat angles P-C4'-P energy: -76.275 tors. eta vs tors. theta energy: 3.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -3081.360643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.360643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.360643 (E_RNA) where: Base-Base interactions energy: -2206.783 where: short stacking energy: -878.230 Base-Backbone interact. energy: -7.726 local terms energy: -866.851414 where: bonds (distance) C4'-P energy: -145.827 bonds (distance) P-C4' energy: -152.954 flat angles C4'-P-C4' energy: -196.916 flat angles P-C4'-P energy: -126.371 tors. eta vs tors. theta energy: -244.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2856.332458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.332458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.332458 (E_RNA) where: Base-Base interactions energy: -1999.124 where: short stacking energy: -815.935 Base-Backbone interact. energy: -3.372 local terms energy: -853.836381 where: bonds (distance) C4'-P energy: -156.539 bonds (distance) P-C4' energy: -159.722 flat angles C4'-P-C4' energy: -185.199 flat angles P-C4'-P energy: -111.916 tors. eta vs tors. theta energy: -240.460 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: 7 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2634.510135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.510135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.510135 (E_RNA) where: Base-Base interactions energy: -1809.693 where: short stacking energy: -761.674 Base-Backbone interact. energy: -1.502 local terms energy: -823.314798 where: bonds (distance) C4'-P energy: -140.617 bonds (distance) P-C4' energy: -172.441 flat angles C4'-P-C4' energy: -169.249 flat angles P-C4'-P energy: -124.499 tors. eta vs tors. theta energy: -216.509 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: 327 Temperature: 1.050000 Total energy: -2544.367095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.367095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.367095 (E_RNA) where: Base-Base interactions energy: -1761.690 where: short stacking energy: -738.010 Base-Backbone interact. energy: -0.127 local terms energy: -782.549502 where: bonds (distance) C4'-P energy: -131.958 bonds (distance) P-C4' energy: -157.848 flat angles C4'-P-C4' energy: -174.653 flat angles P-C4'-P energy: -106.264 tors. eta vs tors. theta energy: -211.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2381.619213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.619213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.619213 (E_RNA) where: Base-Base interactions energy: -1609.161 where: short stacking energy: -685.152 Base-Backbone interact. energy: -3.605 local terms energy: -768.853246 where: bonds (distance) C4'-P energy: -153.089 bonds (distance) P-C4' energy: -166.327 flat angles C4'-P-C4' energy: -150.730 flat angles P-C4'-P energy: -101.252 tors. eta vs tors. theta energy: -197.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -2204.043877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.043877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.043877 (E_RNA) where: Base-Base interactions energy: -1503.058 where: short stacking energy: -659.493 Base-Backbone interact. energy: -2.409 local terms energy: -698.577118 where: bonds (distance) C4'-P energy: -133.036 bonds (distance) P-C4' energy: -147.819 flat angles C4'-P-C4' energy: -158.006 flat angles P-C4'-P energy: -100.198 tors. eta vs tors. theta energy: -159.517 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: 8 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1996.946531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.946531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.946531 (E_RNA) where: Base-Base interactions energy: -1364.248 where: short stacking energy: -574.859 Base-Backbone interact. energy: -1.831 local terms energy: -630.868178 where: bonds (distance) C4'-P energy: -112.549 bonds (distance) P-C4' energy: -136.480 flat angles C4'-P-C4' energy: -156.376 flat angles P-C4'-P energy: -98.068 tors. eta vs tors. theta energy: -127.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1657.724752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.724752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.724752 (E_RNA) where: Base-Base interactions energy: -1037.878 where: short stacking energy: -474.757 Base-Backbone interact. energy: -1.618 local terms energy: -618.229350 where: bonds (distance) C4'-P energy: -139.062 bonds (distance) P-C4' energy: -166.658 flat angles C4'-P-C4' energy: -129.460 flat angles P-C4'-P energy: -95.400 tors. eta vs tors. theta energy: -87.650 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: 327 Temperature: 1.300000 Total energy: -1505.369161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.369161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.369161 (E_RNA) where: Base-Base interactions energy: -960.782 where: short stacking energy: -412.140 Base-Backbone interact. energy: 0.457 local terms energy: -545.044033 where: bonds (distance) C4'-P energy: -138.909 bonds (distance) P-C4' energy: -138.286 flat angles C4'-P-C4' energy: -111.596 flat angles P-C4'-P energy: -98.937 tors. eta vs tors. theta energy: -57.316 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: 10, replica: 10 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -806.417664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.417664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.417664 (E_RNA) where: Base-Base interactions energy: -369.431 where: short stacking energy: -238.204 Base-Backbone interact. energy: 1.457 local terms energy: -438.444505 where: bonds (distance) C4'-P energy: -129.934 bonds (distance) P-C4' energy: -125.673 flat angles C4'-P-C4' energy: -124.151 flat angles P-C4'-P energy: -84.311 tors. eta vs tors. theta energy: 25.624 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: 3 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -3102.722556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.722556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.722556 (E_RNA) where: Base-Base interactions energy: -2223.050 where: short stacking energy: -857.203 Base-Backbone interact. energy: -2.748 local terms energy: -876.924432 where: bonds (distance) C4'-P energy: -144.434 bonds (distance) P-C4' energy: -170.545 flat angles C4'-P-C4' energy: -181.188 flat angles P-C4'-P energy: -128.627 tors. eta vs tors. theta energy: -252.131 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: 328 Temperature: 0.950000 Total energy: -2868.349717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.349717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.349717 (E_RNA) where: Base-Base interactions energy: -2008.751 where: short stacking energy: -865.578 Base-Backbone interact. energy: -3.985 local terms energy: -855.613502 where: bonds (distance) C4'-P energy: -164.071 bonds (distance) P-C4' energy: -154.841 flat angles C4'-P-C4' energy: -187.790 flat angles P-C4'-P energy: -118.095 tors. eta vs tors. theta energy: -230.817 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: 7 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2673.140135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.140135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.140135 (E_RNA) where: Base-Base interactions energy: -1857.074 where: short stacking energy: -785.163 Base-Backbone interact. energy: 2.363 local terms energy: -818.428963 where: bonds (distance) C4'-P energy: -150.491 bonds (distance) P-C4' energy: -160.396 flat angles C4'-P-C4' energy: -171.712 flat angles P-C4'-P energy: -120.651 tors. eta vs tors. theta energy: -215.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2571.154527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.154527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.154527 (E_RNA) where: Base-Base interactions energy: -1781.873 where: short stacking energy: -753.887 Base-Backbone interact. energy: -1.678 local terms energy: -787.602857 where: bonds (distance) C4'-P energy: -136.741 bonds (distance) P-C4' energy: -157.102 flat angles C4'-P-C4' energy: -169.593 flat angles P-C4'-P energy: -116.351 tors. eta vs tors. theta energy: -207.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2366.668307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.668307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.668307 (E_RNA) where: Base-Base interactions energy: -1621.349 where: short stacking energy: -699.985 Base-Backbone interact. energy: -1.101 local terms energy: -744.217722 where: bonds (distance) C4'-P energy: -138.762 bonds (distance) P-C4' energy: -161.850 flat angles C4'-P-C4' energy: -155.979 flat angles P-C4'-P energy: -96.161 tors. eta vs tors. theta energy: -191.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -2168.567521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.567521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.567521 (E_RNA) where: Base-Base interactions energy: -1448.396 where: short stacking energy: -611.199 Base-Backbone interact. energy: -2.311 local terms energy: -717.860692 where: bonds (distance) C4'-P energy: -144.760 bonds (distance) P-C4' energy: -151.411 flat angles C4'-P-C4' energy: -158.050 flat angles P-C4'-P energy: -118.645 tors. eta vs tors. theta energy: -144.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -2038.940548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.940548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.940548 (E_RNA) where: Base-Base interactions energy: -1397.244 where: short stacking energy: -601.646 Base-Backbone interact. energy: 0.592 local terms energy: -642.289356 where: bonds (distance) C4'-P energy: -108.565 bonds (distance) P-C4' energy: -164.634 flat angles C4'-P-C4' energy: -152.884 flat angles P-C4'-P energy: -86.505 tors. eta vs tors. theta energy: -129.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1676.071850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.071850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.071850 (E_RNA) where: Base-Base interactions energy: -1075.825 where: short stacking energy: -491.342 Base-Backbone interact. energy: 6.292 local terms energy: -606.539411 where: bonds (distance) C4'-P energy: -112.800 bonds (distance) P-C4' energy: -138.273 flat angles C4'-P-C4' energy: -153.741 flat angles P-C4'-P energy: -90.021 tors. eta vs tors. theta energy: -111.704 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: 328 Temperature: 1.300000 Total energy: -1521.338094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.338094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.338094 (E_RNA) where: Base-Base interactions energy: -951.498 where: short stacking energy: -448.296 Base-Backbone interact. energy: -0.225 local terms energy: -569.615445 where: bonds (distance) C4'-P energy: -125.447 bonds (distance) P-C4' energy: -146.282 flat angles C4'-P-C4' energy: -143.347 flat angles P-C4'-P energy: -78.748 tors. eta vs tors. theta energy: -75.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -801.150362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.150362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.150362 (E_RNA) where: Base-Base interactions energy: -381.098 where: short stacking energy: -247.423 Base-Backbone interact. energy: -5.226 local terms energy: -414.827191 where: bonds (distance) C4'-P energy: -138.501 bonds (distance) P-C4' energy: -149.198 flat angles C4'-P-C4' energy: -114.285 flat angles P-C4'-P energy: -23.487 tors. eta vs tors. theta energy: 10.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -3082.822371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.822371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.822371 (E_RNA) where: Base-Base interactions energy: -2212.108 where: short stacking energy: -883.674 Base-Backbone interact. energy: -4.871 local terms energy: -865.843201 where: bonds (distance) C4'-P energy: -156.020 bonds (distance) P-C4' energy: -162.745 flat angles C4'-P-C4' energy: -189.668 flat angles P-C4'-P energy: -122.429 tors. eta vs tors. theta energy: -234.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2858.904959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.904959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.904959 (E_RNA) where: Base-Base interactions energy: -2009.946 where: short stacking energy: -805.102 Base-Backbone interact. energy: -3.380 local terms energy: -845.578703 where: bonds (distance) C4'-P energy: -162.544 bonds (distance) P-C4' energy: -154.232 flat angles C4'-P-C4' energy: -179.229 flat angles P-C4'-P energy: -123.802 tors. eta vs tors. theta energy: -225.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2642.122030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.122030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.122030 (E_RNA) where: Base-Base interactions energy: -1847.503 where: short stacking energy: -777.662 Base-Backbone interact. energy: -5.511 local terms energy: -789.107618 where: bonds (distance) C4'-P energy: -151.409 bonds (distance) P-C4' energy: -150.101 flat angles C4'-P-C4' energy: -177.326 flat angles P-C4'-P energy: -107.929 tors. eta vs tors. theta energy: -202.343 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: 1 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2664.785122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.785122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.785122 (E_RNA) where: Base-Base interactions energy: -1848.825 where: short stacking energy: -792.621 Base-Backbone interact. energy: -4.352 local terms energy: -811.608028 where: bonds (distance) C4'-P energy: -137.996 bonds (distance) P-C4' energy: -173.023 flat angles C4'-P-C4' energy: -160.854 flat angles P-C4'-P energy: -117.269 tors. eta vs tors. theta energy: -222.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2357.440004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.440004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.440004 (E_RNA) where: Base-Base interactions energy: -1621.448 where: short stacking energy: -701.868 Base-Backbone interact. energy: -4.780 local terms energy: -731.211822 where: bonds (distance) C4'-P energy: -139.863 bonds (distance) P-C4' energy: -141.531 flat angles C4'-P-C4' energy: -172.233 flat angles P-C4'-P energy: -94.773 tors. eta vs tors. theta energy: -182.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -2177.122354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.122354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.122354 (E_RNA) where: Base-Base interactions energy: -1456.051 where: short stacking energy: -641.489 Base-Backbone interact. energy: -2.404 local terms energy: -718.667443 where: bonds (distance) C4'-P energy: -137.977 bonds (distance) P-C4' energy: -143.004 flat angles C4'-P-C4' energy: -166.977 flat angles P-C4'-P energy: -100.353 tors. eta vs tors. theta energy: -170.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -2070.896963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.896963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.896963 (E_RNA) where: Base-Base interactions energy: -1396.438 where: short stacking energy: -611.672 Base-Backbone interact. energy: -1.366 local terms energy: -673.093015 where: bonds (distance) C4'-P energy: -128.189 bonds (distance) P-C4' energy: -144.929 flat angles C4'-P-C4' energy: -147.698 flat angles P-C4'-P energy: -108.249 tors. eta vs tors. theta energy: -144.028 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: 329 Temperature: 1.250000 Total energy: -1656.649774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.649774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.649774 (E_RNA) where: Base-Base interactions energy: -1096.167 where: short stacking energy: -490.001 Base-Backbone interact. energy: 6.247 local terms energy: -566.729895 where: bonds (distance) C4'-P energy: -113.367 bonds (distance) P-C4' energy: -154.633 flat angles C4'-P-C4' energy: -128.234 flat angles P-C4'-P energy: -83.171 tors. eta vs tors. theta energy: -87.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1555.436441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.436441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.436441 (E_RNA) where: Base-Base interactions energy: -989.086 where: short stacking energy: -429.963 Base-Backbone interact. energy: -1.704 local terms energy: -564.646381 where: bonds (distance) C4'-P energy: -127.741 bonds (distance) P-C4' energy: -145.755 flat angles C4'-P-C4' energy: -136.706 flat angles P-C4'-P energy: -83.038 tors. eta vs tors. theta energy: -71.407 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: 10 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -787.106463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.106463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.106463 (E_RNA) where: Base-Base interactions energy: -325.299 where: short stacking energy: -204.423 Base-Backbone interact. energy: 1.162 local terms energy: -462.969145 where: bonds (distance) C4'-P energy: -138.526 bonds (distance) P-C4' energy: -142.989 flat angles C4'-P-C4' energy: -102.706 flat angles P-C4'-P energy: -86.828 tors. eta vs tors. theta energy: 8.079 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: 1, replica: 3 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -3040.066244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.066244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.066244 (E_RNA) where: Base-Base interactions energy: -2197.550 where: short stacking energy: -867.066 Base-Backbone interact. energy: 5.400 local terms energy: -847.915481 where: bonds (distance) C4'-P energy: -133.100 bonds (distance) P-C4' energy: -175.068 flat angles C4'-P-C4' energy: -183.529 flat angles P-C4'-P energy: -119.412 tors. eta vs tors. theta energy: -236.806 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: 2, replica: 5 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2830.171365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.171365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.171365 (E_RNA) where: Base-Base interactions energy: -1975.066 where: short stacking energy: -813.531 Base-Backbone interact. energy: -6.075 local terms energy: -849.030491 where: bonds (distance) C4'-P energy: -156.301 bonds (distance) P-C4' energy: -145.657 flat angles C4'-P-C4' energy: -186.890 flat angles P-C4'-P energy: -131.820 tors. eta vs tors. theta energy: -228.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2681.458243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.458243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.458243 (E_RNA) where: Base-Base interactions energy: -1841.632 where: short stacking energy: -773.815 Base-Backbone interact. energy: -0.215 local terms energy: -839.611110 where: bonds (distance) C4'-P energy: -149.372 bonds (distance) P-C4' energy: -178.960 flat angles C4'-P-C4' energy: -171.226 flat angles P-C4'-P energy: -126.007 tors. eta vs tors. theta energy: -214.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2585.964916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.964916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.964916 (E_RNA) where: Base-Base interactions energy: -1801.292 where: short stacking energy: -745.071 Base-Backbone interact. energy: -3.621 local terms energy: -781.051913 where: bonds (distance) C4'-P energy: -147.077 bonds (distance) P-C4' energy: -150.221 flat angles C4'-P-C4' energy: -170.368 flat angles P-C4'-P energy: -124.754 tors. eta vs tors. theta energy: -188.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2363.969980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.969980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.969980 (E_RNA) where: Base-Base interactions energy: -1620.705 where: short stacking energy: -695.965 Base-Backbone interact. energy: -6.982 local terms energy: -736.282517 where: bonds (distance) C4'-P energy: -134.511 bonds (distance) P-C4' energy: -150.126 flat angles C4'-P-C4' energy: -175.575 flat angles P-C4'-P energy: -101.763 tors. eta vs tors. theta energy: -174.308 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: 330 Temperature: 1.150000 Total energy: -2165.376823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.376823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.376823 (E_RNA) where: Base-Base interactions energy: -1466.233 where: short stacking energy: -599.252 Base-Backbone interact. energy: 0.628 local terms energy: -699.771589 where: bonds (distance) C4'-P energy: -145.878 bonds (distance) P-C4' energy: -156.384 flat angles C4'-P-C4' energy: -151.765 flat angles P-C4'-P energy: -92.937 tors. eta vs tors. theta energy: -152.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -2069.402663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.402663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.402663 (E_RNA) where: Base-Base interactions energy: -1388.417 where: short stacking energy: -610.241 Base-Backbone interact. energy: -4.105 local terms energy: -676.880611 where: bonds (distance) C4'-P energy: -134.046 bonds (distance) P-C4' energy: -147.337 flat angles C4'-P-C4' energy: -151.378 flat angles P-C4'-P energy: -90.818 tors. eta vs tors. theta energy: -153.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1615.820911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.820911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.820911 (E_RNA) where: Base-Base interactions energy: -1021.087 where: short stacking energy: -447.232 Base-Backbone interact. energy: -3.028 local terms energy: -591.705558 where: bonds (distance) C4'-P energy: -139.222 bonds (distance) P-C4' energy: -146.494 flat angles C4'-P-C4' energy: -135.353 flat angles P-C4'-P energy: -85.783 tors. eta vs tors. theta energy: -84.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1538.194719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.194719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.194719 (E_RNA) where: Base-Base interactions energy: -979.078 where: short stacking energy: -458.955 Base-Backbone interact. energy: 3.145 local terms energy: -562.261491 where: bonds (distance) C4'-P energy: -138.722 bonds (distance) P-C4' energy: -131.971 flat angles C4'-P-C4' energy: -123.151 flat angles P-C4'-P energy: -86.670 tors. eta vs tors. theta energy: -81.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -767.189641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.189641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.189641 (E_RNA) where: Base-Base interactions energy: -297.702 where: short stacking energy: -159.015 Base-Backbone interact. energy: -2.007 local terms energy: -467.480717 where: bonds (distance) C4'-P energy: -160.551 bonds (distance) P-C4' energy: -149.474 flat angles C4'-P-C4' energy: -126.134 flat angles P-C4'-P energy: -52.159 tors. eta vs tors. theta energy: 20.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -3063.948334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.948334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.948334 (E_RNA) where: Base-Base interactions energy: -2182.922 where: short stacking energy: -837.733 Base-Backbone interact. energy: -2.085 local terms energy: -878.942152 where: bonds (distance) C4'-P energy: -163.468 bonds (distance) P-C4' energy: -164.559 flat angles C4'-P-C4' energy: -188.702 flat angles P-C4'-P energy: -125.187 tors. eta vs tors. theta energy: -237.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2849.542134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.542134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.542134 (E_RNA) where: Base-Base interactions energy: -2000.527 where: short stacking energy: -832.833 Base-Backbone interact. energy: -1.564 local terms energy: -847.451220 where: bonds (distance) C4'-P energy: -149.111 bonds (distance) P-C4' energy: -155.532 flat angles C4'-P-C4' energy: -191.993 flat angles P-C4'-P energy: -119.846 tors. eta vs tors. theta energy: -230.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2682.104075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.104075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.104075 (E_RNA) where: Base-Base interactions energy: -1862.741 where: short stacking energy: -782.284 Base-Backbone interact. energy: -2.698 local terms energy: -816.664715 where: bonds (distance) C4'-P energy: -154.531 bonds (distance) P-C4' energy: -176.954 flat angles C4'-P-C4' energy: -168.212 flat angles P-C4'-P energy: -114.360 tors. eta vs tors. theta energy: -202.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2594.700071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.700071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.700071 (E_RNA) where: Base-Base interactions energy: -1764.818 where: short stacking energy: -731.181 Base-Backbone interact. energy: -3.335 local terms energy: -826.547186 where: bonds (distance) C4'-P energy: -152.235 bonds (distance) P-C4' energy: -172.981 flat angles C4'-P-C4' energy: -181.900 flat angles P-C4'-P energy: -118.962 tors. eta vs tors. theta energy: -200.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2344.896909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.896909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.896909 (E_RNA) where: Base-Base interactions energy: -1597.689 where: short stacking energy: -679.804 Base-Backbone interact. energy: -1.644 local terms energy: -745.563687 where: bonds (distance) C4'-P energy: -148.237 bonds (distance) P-C4' energy: -147.637 flat angles C4'-P-C4' energy: -169.859 flat angles P-C4'-P energy: -90.771 tors. eta vs tors. theta energy: -189.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -2180.006477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.006477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.006477 (E_RNA) where: Base-Base interactions energy: -1435.346 where: short stacking energy: -623.267 Base-Backbone interact. energy: 1.571 local terms energy: -746.327730 where: bonds (distance) C4'-P energy: -150.677 bonds (distance) P-C4' energy: -165.492 flat angles C4'-P-C4' energy: -163.547 flat angles P-C4'-P energy: -104.931 tors. eta vs tors. theta energy: -161.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.096 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -2062.170719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.170719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.170719 (E_RNA) where: Base-Base interactions energy: -1425.297 where: short stacking energy: -597.793 Base-Backbone interact. energy: -2.328 local terms energy: -634.545708 where: bonds (distance) C4'-P energy: -133.089 bonds (distance) P-C4' energy: -116.834 flat angles C4'-P-C4' energy: -141.999 flat angles P-C4'-P energy: -99.366 tors. eta vs tors. theta energy: -143.257 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: 9 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1680.133326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.133326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.133326 (E_RNA) where: Base-Base interactions energy: -1089.973 where: short stacking energy: -479.882 Base-Backbone interact. energy: -4.927 local terms energy: -585.233704 where: bonds (distance) C4'-P energy: -117.488 bonds (distance) P-C4' energy: -117.800 flat angles C4'-P-C4' energy: -148.603 flat angles P-C4'-P energy: -105.030 tors. eta vs tors. theta energy: -96.312 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: 2 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1488.818514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.818514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.818514 (E_RNA) where: Base-Base interactions energy: -937.660 where: short stacking energy: -433.402 Base-Backbone interact. energy: 4.215 local terms energy: -555.373974 where: bonds (distance) C4'-P energy: -125.009 bonds (distance) P-C4' energy: -136.204 flat angles C4'-P-C4' energy: -136.644 flat angles P-C4'-P energy: -90.828 tors. eta vs tors. theta energy: -66.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -820.939731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.939731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.939731 (E_RNA) where: Base-Base interactions energy: -369.586 where: short stacking energy: -231.523 Base-Backbone interact. energy: 4.515 local terms energy: -456.588856 where: bonds (distance) C4'-P energy: -119.609 bonds (distance) P-C4' energy: -139.900 flat angles C4'-P-C4' energy: -126.619 flat angles P-C4'-P energy: -61.112 tors. eta vs tors. theta energy: -9.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.721 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -3073.597233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.597233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.597233 (E_RNA) where: Base-Base interactions energy: -2176.939 where: short stacking energy: -873.286 Base-Backbone interact. energy: -2.362 local terms energy: -894.296315 where: bonds (distance) C4'-P energy: -163.861 bonds (distance) P-C4' energy: -166.613 flat angles C4'-P-C4' energy: -178.884 flat angles P-C4'-P energy: -137.365 tors. eta vs tors. theta energy: -247.574 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: 332 Temperature: 0.950000 Total energy: -2876.927490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.927490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.927490 (E_RNA) where: Base-Base interactions energy: -1998.604 where: short stacking energy: -852.217 Base-Backbone interact. energy: -1.286 local terms energy: -877.037967 where: bonds (distance) C4'-P energy: -138.868 bonds (distance) P-C4' energy: -180.468 flat angles C4'-P-C4' energy: -191.320 flat angles P-C4'-P energy: -130.012 tors. eta vs tors. theta energy: -236.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2661.329341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.329341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.329341 (E_RNA) where: Base-Base interactions energy: -1814.960 where: short stacking energy: -773.809 Base-Backbone interact. energy: -2.251 local terms energy: -844.118520 where: bonds (distance) C4'-P energy: -145.057 bonds (distance) P-C4' energy: -169.541 flat angles C4'-P-C4' energy: -182.487 flat angles P-C4'-P energy: -125.714 tors. eta vs tors. theta energy: -221.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2571.442768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.442768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.442768 (E_RNA) where: Base-Base interactions energy: -1788.040 where: short stacking energy: -744.821 Base-Backbone interact. energy: -0.220 local terms energy: -783.183326 where: bonds (distance) C4'-P energy: -152.740 bonds (distance) P-C4' energy: -150.632 flat angles C4'-P-C4' energy: -165.140 flat angles P-C4'-P energy: -107.627 tors. eta vs tors. theta energy: -207.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2292.377205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.377205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.377205 (E_RNA) where: Base-Base interactions energy: -1578.110 where: short stacking energy: -651.554 Base-Backbone interact. energy: -0.669 local terms energy: -713.598647 where: bonds (distance) C4'-P energy: -137.226 bonds (distance) P-C4' energy: -164.380 flat angles C4'-P-C4' energy: -159.602 flat angles P-C4'-P energy: -89.477 tors. eta vs tors. theta energy: -162.914 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: 6 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -2191.666000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.666000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.666000 (E_RNA) where: Base-Base interactions energy: -1467.091 where: short stacking energy: -645.516 Base-Backbone interact. energy: -2.281 local terms energy: -722.293726 where: bonds (distance) C4'-P energy: -144.042 bonds (distance) P-C4' energy: -161.107 flat angles C4'-P-C4' energy: -151.891 flat angles P-C4'-P energy: -105.056 tors. eta vs tors. theta energy: -160.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -2098.850999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.850999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.850999 (E_RNA) where: Base-Base interactions energy: -1457.001 where: short stacking energy: -586.528 Base-Backbone interact. energy: -1.950 local terms energy: -640.200759 where: bonds (distance) C4'-P energy: -132.250 bonds (distance) P-C4' energy: -142.542 flat angles C4'-P-C4' energy: -151.790 flat angles P-C4'-P energy: -88.834 tors. eta vs tors. theta energy: -124.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.301 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1630.040047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.040047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.040047 (E_RNA) where: Base-Base interactions energy: -1054.115 where: short stacking energy: -462.996 Base-Backbone interact. energy: -0.622 local terms energy: -575.303414 where: bonds (distance) C4'-P energy: -151.754 bonds (distance) P-C4' energy: -140.907 flat angles C4'-P-C4' energy: -140.750 flat angles P-C4'-P energy: -63.613 tors. eta vs tors. theta energy: -78.280 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: 2 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1491.378180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.378180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.378180 (E_RNA) where: Base-Base interactions energy: -936.742 where: short stacking energy: -398.701 Base-Backbone interact. energy: -1.314 local terms energy: -553.321948 where: bonds (distance) C4'-P energy: -136.658 bonds (distance) P-C4' energy: -147.089 flat angles C4'-P-C4' energy: -129.742 flat angles P-C4'-P energy: -77.535 tors. eta vs tors. theta energy: -62.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -801.885882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.885882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.885882 (E_RNA) where: Base-Base interactions energy: -361.814 where: short stacking energy: -201.979 Base-Backbone interact. energy: -6.155 local terms energy: -433.917644 where: bonds (distance) C4'-P energy: -100.135 bonds (distance) P-C4' energy: -142.343 flat angles C4'-P-C4' energy: -121.492 flat angles P-C4'-P energy: -89.568 tors. eta vs tors. theta energy: 19.620 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: 3 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -3057.174715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.174715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.174715 (E_RNA) where: Base-Base interactions energy: -2157.931 where: short stacking energy: -860.777 Base-Backbone interact. energy: -1.889 local terms energy: -897.354877 where: bonds (distance) C4'-P energy: -158.344 bonds (distance) P-C4' energy: -171.062 flat angles C4'-P-C4' energy: -192.333 flat angles P-C4'-P energy: -135.005 tors. eta vs tors. theta energy: -240.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2873.866104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.866104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.866104 (E_RNA) where: Base-Base interactions energy: -2024.081 where: short stacking energy: -844.531 Base-Backbone interact. energy: -2.894 local terms energy: -846.891562 where: bonds (distance) C4'-P energy: -167.145 bonds (distance) P-C4' energy: -158.572 flat angles C4'-P-C4' energy: -162.981 flat angles P-C4'-P energy: -116.479 tors. eta vs tors. theta energy: -241.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2640.877627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.877627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.877627 (E_RNA) where: Base-Base interactions energy: -1831.685 where: short stacking energy: -776.354 Base-Backbone interact. energy: -1.347 local terms energy: -807.845661 where: bonds (distance) C4'-P energy: -147.792 bonds (distance) P-C4' energy: -168.115 flat angles C4'-P-C4' energy: -170.092 flat angles P-C4'-P energy: -110.091 tors. eta vs tors. theta energy: -211.756 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: 1 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2596.222662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.222662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.222662 (E_RNA) where: Base-Base interactions energy: -1807.808 where: short stacking energy: -747.501 Base-Backbone interact. energy: -1.711 local terms energy: -786.704348 where: bonds (distance) C4'-P energy: -162.803 bonds (distance) P-C4' energy: -159.851 flat angles C4'-P-C4' energy: -168.183 flat angles P-C4'-P energy: -84.441 tors. eta vs tors. theta energy: -211.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2302.519082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.519082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.519082 (E_RNA) where: Base-Base interactions energy: -1565.174 where: short stacking energy: -683.168 Base-Backbone interact. energy: -2.255 local terms energy: -735.090278 where: bonds (distance) C4'-P energy: -144.643 bonds (distance) P-C4' energy: -149.417 flat angles C4'-P-C4' energy: -162.485 flat angles P-C4'-P energy: -96.214 tors. eta vs tors. theta energy: -182.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -2173.991506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.991506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.991506 (E_RNA) where: Base-Base interactions energy: -1473.089 where: short stacking energy: -633.256 Base-Backbone interact. energy: -5.099 local terms energy: -695.804021 where: bonds (distance) C4'-P energy: -122.065 bonds (distance) P-C4' energy: -156.183 flat angles C4'-P-C4' energy: -148.865 flat angles P-C4'-P energy: -100.463 tors. eta vs tors. theta energy: -168.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -2210.253632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.253632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.253632 (E_RNA) where: Base-Base interactions energy: -1512.325 where: short stacking energy: -592.464 Base-Backbone interact. energy: 0.264 local terms energy: -699.013514 where: bonds (distance) C4'-P energy: -136.012 bonds (distance) P-C4' energy: -156.333 flat angles C4'-P-C4' energy: -169.903 flat angles P-C4'-P energy: -81.586 tors. eta vs tors. theta energy: -155.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.821 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1776.389252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.389252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.389252 (E_RNA) where: Base-Base interactions energy: -1154.438 where: short stacking energy: -504.188 Base-Backbone interact. energy: -1.964 local terms energy: -619.987125 where: bonds (distance) C4'-P energy: -147.383 bonds (distance) P-C4' energy: -141.707 flat angles C4'-P-C4' energy: -142.319 flat angles P-C4'-P energy: -76.000 tors. eta vs tors. theta energy: -112.579 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: 2 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1444.377210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.377210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.377210 (E_RNA) where: Base-Base interactions energy: -890.756 where: short stacking energy: -420.546 Base-Backbone interact. energy: 6.010 local terms energy: -559.631508 where: bonds (distance) C4'-P energy: -133.438 bonds (distance) P-C4' energy: -152.533 flat angles C4'-P-C4' energy: -110.744 flat angles P-C4'-P energy: -88.219 tors. eta vs tors. theta energy: -74.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -751.341034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.341034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.341034 (E_RNA) where: Base-Base interactions energy: -375.923 where: short stacking energy: -241.405 Base-Backbone interact. energy: 10.466 local terms energy: -385.884202 where: bonds (distance) C4'-P energy: -119.601 bonds (distance) P-C4' energy: -143.239 flat angles C4'-P-C4' energy: -98.951 flat angles P-C4'-P energy: -47.325 tors. eta vs tors. theta energy: 23.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -3080.518105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.518105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.518105 (E_RNA) where: Base-Base interactions energy: -2168.710 where: short stacking energy: -884.738 Base-Backbone interact. energy: -1.535 local terms energy: -910.272691 where: bonds (distance) C4'-P energy: -168.045 bonds (distance) P-C4' energy: -164.967 flat angles C4'-P-C4' energy: -187.347 flat angles P-C4'-P energy: -146.103 tors. eta vs tors. theta energy: -243.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2876.057038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.057038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.057038 (E_RNA) where: Base-Base interactions energy: -2001.505 where: short stacking energy: -842.331 Base-Backbone interact. energy: -6.135 local terms energy: -868.417408 where: bonds (distance) C4'-P energy: -146.465 bonds (distance) P-C4' energy: -153.720 flat angles C4'-P-C4' energy: -189.185 flat angles P-C4'-P energy: -141.212 tors. eta vs tors. theta energy: -237.835 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: 7 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2688.668245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.668245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.668245 (E_RNA) where: Base-Base interactions energy: -1854.722 where: short stacking energy: -762.109 Base-Backbone interact. energy: -2.118 local terms energy: -831.828104 where: bonds (distance) C4'-P energy: -164.952 bonds (distance) P-C4' energy: -160.733 flat angles C4'-P-C4' energy: -177.173 flat angles P-C4'-P energy: -121.374 tors. eta vs tors. theta energy: -207.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2582.356943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.356943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.356943 (E_RNA) where: Base-Base interactions energy: -1812.064 where: short stacking energy: -755.912 Base-Backbone interact. energy: -4.632 local terms energy: -765.660076 where: bonds (distance) C4'-P energy: -130.323 bonds (distance) P-C4' energy: -157.117 flat angles C4'-P-C4' energy: -151.293 flat angles P-C4'-P energy: -124.095 tors. eta vs tors. theta energy: -202.832 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: 334 Temperature: 1.100000 Total energy: -2324.850698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.850698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.850698 (E_RNA) where: Base-Base interactions energy: -1578.227 where: short stacking energy: -662.988 Base-Backbone interact. energy: -1.140 local terms energy: -745.483878 where: bonds (distance) C4'-P energy: -129.702 bonds (distance) P-C4' energy: -159.865 flat angles C4'-P-C4' energy: -170.627 flat angles P-C4'-P energy: -116.439 tors. eta vs tors. theta energy: -168.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -2104.669987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.669987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.669987 (E_RNA) where: Base-Base interactions energy: -1417.528 where: short stacking energy: -580.150 Base-Backbone interact. energy: -0.476 local terms energy: -686.665757 where: bonds (distance) C4'-P energy: -135.278 bonds (distance) P-C4' energy: -154.435 flat angles C4'-P-C4' energy: -156.131 flat angles P-C4'-P energy: -112.979 tors. eta vs tors. theta energy: -127.843 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: 8 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -2161.920564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.920564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.920564 (E_RNA) where: Base-Base interactions energy: -1447.759 where: short stacking energy: -619.883 Base-Backbone interact. energy: -0.251 local terms energy: -714.697273 where: bonds (distance) C4'-P energy: -150.341 bonds (distance) P-C4' energy: -153.053 flat angles C4'-P-C4' energy: -143.463 flat angles P-C4'-P energy: -107.843 tors. eta vs tors. theta energy: -159.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.786 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1784.046624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.046624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.046624 (E_RNA) where: Base-Base interactions energy: -1200.624 where: short stacking energy: -527.953 Base-Backbone interact. energy: -2.557 local terms energy: -580.865614 where: bonds (distance) C4'-P energy: -123.690 bonds (distance) P-C4' energy: -127.068 flat angles C4'-P-C4' energy: -151.930 flat angles P-C4'-P energy: -81.695 tors. eta vs tors. theta energy: -96.482 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: 2 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1511.918696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.918696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.918696 (E_RNA) where: Base-Base interactions energy: -946.999 where: short stacking energy: -406.863 Base-Backbone interact. energy: 0.916 local terms energy: -565.835733 where: bonds (distance) C4'-P energy: -113.087 bonds (distance) P-C4' energy: -137.779 flat angles C4'-P-C4' energy: -162.273 flat angles P-C4'-P energy: -80.681 tors. eta vs tors. theta energy: -72.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -825.381571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.381571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.381571 (E_RNA) where: Base-Base interactions energy: -370.660 where: short stacking energy: -235.379 Base-Backbone interact. energy: 0.419 local terms energy: -455.140601 where: bonds (distance) C4'-P energy: -142.258 bonds (distance) P-C4' energy: -138.355 flat angles C4'-P-C4' energy: -121.570 flat angles P-C4'-P energy: -59.091 tors. eta vs tors. theta energy: 6.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -3066.283781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.283781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.283781 (E_RNA) where: Base-Base interactions energy: -2200.280 where: short stacking energy: -898.593 Base-Backbone interact. energy: -0.640 local terms energy: -865.363912 where: bonds (distance) C4'-P energy: -157.676 bonds (distance) P-C4' energy: -160.358 flat angles C4'-P-C4' energy: -180.583 flat angles P-C4'-P energy: -118.730 tors. eta vs tors. theta energy: -248.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2875.035165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.035165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.035165 (E_RNA) where: Base-Base interactions energy: -1999.560 where: short stacking energy: -837.269 Base-Backbone interact. energy: -3.684 local terms energy: -871.791143 where: bonds (distance) C4'-P energy: -162.031 bonds (distance) P-C4' energy: -174.109 flat angles C4'-P-C4' energy: -174.928 flat angles P-C4'-P energy: -124.515 tors. eta vs tors. theta energy: -236.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2659.034549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.034549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.034549 (E_RNA) where: Base-Base interactions energy: -1846.350 where: short stacking energy: -779.326 Base-Backbone interact. energy: 1.716 local terms energy: -814.401506 where: bonds (distance) C4'-P energy: -157.652 bonds (distance) P-C4' energy: -172.072 flat angles C4'-P-C4' energy: -171.001 flat angles P-C4'-P energy: -108.543 tors. eta vs tors. theta energy: -205.132 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: 1 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2613.899211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.899211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.899211 (E_RNA) where: Base-Base interactions energy: -1840.956 where: short stacking energy: -781.226 Base-Backbone interact. energy: 2.067 local terms energy: -775.010779 where: bonds (distance) C4'-P energy: -147.947 bonds (distance) P-C4' energy: -150.297 flat angles C4'-P-C4' energy: -166.789 flat angles P-C4'-P energy: -103.550 tors. eta vs tors. theta energy: -206.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2314.810639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.810639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.810639 (E_RNA) where: Base-Base interactions energy: -1557.285 where: short stacking energy: -682.352 Base-Backbone interact. energy: -4.437 local terms energy: -753.088951 where: bonds (distance) C4'-P energy: -139.878 bonds (distance) P-C4' energy: -150.689 flat angles C4'-P-C4' energy: -164.784 flat angles P-C4'-P energy: -106.712 tors. eta vs tors. theta energy: -191.025 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: 6, replica: 6 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -2159.518988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.518988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.518988 (E_RNA) where: Base-Base interactions energy: -1473.195 where: short stacking energy: -635.966 Base-Backbone interact. energy: -0.712 local terms energy: -686.119342 where: bonds (distance) C4'-P energy: -135.966 bonds (distance) P-C4' energy: -156.376 flat angles C4'-P-C4' energy: -151.321 flat angles P-C4'-P energy: -106.905 tors. eta vs tors. theta energy: -135.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.507 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -2136.810647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.810647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.810647 (E_RNA) where: Base-Base interactions energy: -1468.466 where: short stacking energy: -620.611 Base-Backbone interact. energy: 7.548 local terms energy: -675.892369 where: bonds (distance) C4'-P energy: -135.261 bonds (distance) P-C4' energy: -129.877 flat angles C4'-P-C4' energy: -159.607 flat angles P-C4'-P energy: -90.037 tors. eta vs tors. theta energy: -161.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1687.337733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.337733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.337733 (E_RNA) where: Base-Base interactions energy: -1078.380 where: short stacking energy: -472.986 Base-Backbone interact. energy: -2.094 local terms energy: -606.863864 where: bonds (distance) C4'-P energy: -131.491 bonds (distance) P-C4' energy: -141.406 flat angles C4'-P-C4' energy: -145.084 flat angles P-C4'-P energy: -103.064 tors. eta vs tors. theta energy: -85.819 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: 9, replica: 2 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1487.475145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.475145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.475145 (E_RNA) where: Base-Base interactions energy: -940.506 where: short stacking energy: -405.735 Base-Backbone interact. energy: -1.151 local terms energy: -545.817731 where: bonds (distance) C4'-P energy: -136.428 bonds (distance) P-C4' energy: -126.337 flat angles C4'-P-C4' energy: -142.306 flat angles P-C4'-P energy: -65.479 tors. eta vs tors. theta energy: -75.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -817.759450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.759450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.759450 (E_RNA) where: Base-Base interactions energy: -371.872 where: short stacking energy: -228.352 Base-Backbone interact. energy: 4.566 local terms energy: -450.452540 where: bonds (distance) C4'-P energy: -125.341 bonds (distance) P-C4' energy: -122.356 flat angles C4'-P-C4' energy: -135.453 flat angles P-C4'-P energy: -77.407 tors. eta vs tors. theta energy: 10.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -3069.072986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.072986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.072986 (E_RNA) where: Base-Base interactions energy: -2191.001 where: short stacking energy: -874.445 Base-Backbone interact. energy: -5.040 local terms energy: -873.031944 where: bonds (distance) C4'-P energy: -157.968 bonds (distance) P-C4' energy: -171.904 flat angles C4'-P-C4' energy: -179.551 flat angles P-C4'-P energy: -130.809 tors. eta vs tors. theta energy: -232.800 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: 5 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2816.842681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.842681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.842681 (E_RNA) where: Base-Base interactions energy: -1996.092 where: short stacking energy: -817.625 Base-Backbone interact. energy: -3.388 local terms energy: -817.362918 where: bonds (distance) C4'-P energy: -148.097 bonds (distance) P-C4' energy: -155.653 flat angles C4'-P-C4' energy: -161.809 flat angles P-C4'-P energy: -128.130 tors. eta vs tors. theta energy: -223.674 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: 3, replica: 1 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2675.159835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.159835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.159835 (E_RNA) where: Base-Base interactions energy: -1854.977 where: short stacking energy: -788.462 Base-Backbone interact. energy: -3.139 local terms energy: -817.044294 where: bonds (distance) C4'-P energy: -147.073 bonds (distance) P-C4' energy: -156.931 flat angles C4'-P-C4' energy: -177.373 flat angles P-C4'-P energy: -133.272 tors. eta vs tors. theta energy: -202.395 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: 7 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2615.650096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.650096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.650096 (E_RNA) where: Base-Base interactions energy: -1850.597 where: short stacking energy: -781.245 Base-Backbone interact. energy: -1.948 local terms energy: -763.104199 where: bonds (distance) C4'-P energy: -134.293 bonds (distance) P-C4' energy: -153.477 flat angles C4'-P-C4' energy: -162.018 flat angles P-C4'-P energy: -99.863 tors. eta vs tors. theta energy: -213.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2309.634734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.634734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.634734 (E_RNA) where: Base-Base interactions energy: -1605.859 where: short stacking energy: -694.867 Base-Backbone interact. energy: -5.465 local terms energy: -698.311084 where: bonds (distance) C4'-P energy: -140.488 bonds (distance) P-C4' energy: -114.481 flat angles C4'-P-C4' energy: -164.499 flat angles P-C4'-P energy: -110.287 tors. eta vs tors. theta energy: -168.557 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: 6, replica: 6 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -2143.039383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.039383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.039383 (E_RNA) where: Base-Base interactions energy: -1439.465 where: short stacking energy: -596.310 Base-Backbone interact. energy: -1.266 local terms energy: -702.308571 where: bonds (distance) C4'-P energy: -137.922 bonds (distance) P-C4' energy: -150.377 flat angles C4'-P-C4' energy: -165.297 flat angles P-C4'-P energy: -103.374 tors. eta vs tors. theta energy: -145.338 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: 8 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -2198.056194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.056194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.056194 (E_RNA) where: Base-Base interactions energy: -1504.475 where: short stacking energy: -653.356 Base-Backbone interact. energy: -3.538 local terms energy: -690.556721 where: bonds (distance) C4'-P energy: -142.532 bonds (distance) P-C4' energy: -136.822 flat angles C4'-P-C4' energy: -157.543 flat angles P-C4'-P energy: -94.727 tors. eta vs tors. theta energy: -158.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.513 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1637.985402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.985402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.985402 (E_RNA) where: Base-Base interactions energy: -1052.246 where: short stacking energy: -466.722 Base-Backbone interact. energy: 2.352 local terms energy: -588.091275 where: bonds (distance) C4'-P energy: -137.102 bonds (distance) P-C4' energy: -155.099 flat angles C4'-P-C4' energy: -148.950 flat angles P-C4'-P energy: -78.708 tors. eta vs tors. theta energy: -68.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1457.487968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.487968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.487968 (E_RNA) where: Base-Base interactions energy: -935.177 where: short stacking energy: -429.205 Base-Backbone interact. energy: 0.896 local terms energy: -523.206642 where: bonds (distance) C4'-P energy: -133.032 bonds (distance) P-C4' energy: -144.679 flat angles C4'-P-C4' energy: -129.700 flat angles P-C4'-P energy: -50.251 tors. eta vs tors. theta energy: -65.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -810.101237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.101237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.101237 (E_RNA) where: Base-Base interactions energy: -390.003 where: short stacking energy: -258.255 Base-Backbone interact. energy: 1.384 local terms energy: -421.482766 where: bonds (distance) C4'-P energy: -112.012 bonds (distance) P-C4' energy: -141.295 flat angles C4'-P-C4' energy: -109.969 flat angles P-C4'-P energy: -69.904 tors. eta vs tors. theta energy: 11.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -3075.599310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.599310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.599310 (E_RNA) where: Base-Base interactions energy: -2185.092 where: short stacking energy: -856.239 Base-Backbone interact. energy: -3.981 local terms energy: -886.525392 where: bonds (distance) C4'-P energy: -172.489 bonds (distance) P-C4' energy: -164.610 flat angles C4'-P-C4' energy: -185.029 flat angles P-C4'-P energy: -125.349 tors. eta vs tors. theta energy: -239.048 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: 337 Temperature: 0.950000 Total energy: -2847.007690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.007690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.007690 (E_RNA) where: Base-Base interactions energy: -1993.593 where: short stacking energy: -810.555 Base-Backbone interact. energy: -6.748 local terms energy: -846.666504 where: bonds (distance) C4'-P energy: -152.340 bonds (distance) P-C4' energy: -167.482 flat angles C4'-P-C4' energy: -170.570 flat angles P-C4'-P energy: -124.499 tors. eta vs tors. theta energy: -231.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2676.533235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.533235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.533235 (E_RNA) where: Base-Base interactions energy: -1869.369 where: short stacking energy: -784.449 Base-Backbone interact. energy: -2.035 local terms energy: -805.128452 where: bonds (distance) C4'-P energy: -153.880 bonds (distance) P-C4' energy: -176.354 flat angles C4'-P-C4' energy: -168.873 flat angles P-C4'-P energy: -103.698 tors. eta vs tors. theta energy: -202.323 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: 7 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2557.378531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.378531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.378531 (E_RNA) where: Base-Base interactions energy: -1757.546 where: short stacking energy: -723.697 Base-Backbone interact. energy: -1.575 local terms energy: -798.257386 where: bonds (distance) C4'-P energy: -144.940 bonds (distance) P-C4' energy: -172.111 flat angles C4'-P-C4' energy: -155.815 flat angles P-C4'-P energy: -122.042 tors. eta vs tors. theta energy: -203.349 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: 4 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2326.717173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.717173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.717173 (E_RNA) where: Base-Base interactions energy: -1563.152 where: short stacking energy: -687.058 Base-Backbone interact. energy: -4.062 local terms energy: -759.503847 where: bonds (distance) C4'-P energy: -157.015 bonds (distance) P-C4' energy: -162.640 flat angles C4'-P-C4' energy: -156.564 flat angles P-C4'-P energy: -105.886 tors. eta vs tors. theta energy: -177.399 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: 337 Temperature: 1.150000 Total energy: -2126.459355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.459355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.459355 (E_RNA) where: Base-Base interactions energy: -1456.649 where: short stacking energy: -632.506 Base-Backbone interact. energy: -0.623 local terms energy: -669.187274 where: bonds (distance) C4'-P energy: -138.712 bonds (distance) P-C4' energy: -149.510 flat angles C4'-P-C4' energy: -135.382 flat angles P-C4'-P energy: -101.325 tors. eta vs tors. theta energy: -144.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -2135.922337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.922337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.922337 (E_RNA) where: Base-Base interactions energy: -1480.172 where: short stacking energy: -608.585 Base-Backbone interact. energy: 8.321 local terms energy: -664.235164 where: bonds (distance) C4'-P energy: -118.886 bonds (distance) P-C4' energy: -156.926 flat angles C4'-P-C4' energy: -144.307 flat angles P-C4'-P energy: -90.642 tors. eta vs tors. theta energy: -153.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.163 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1644.266155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.266155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.266155 (E_RNA) where: Base-Base interactions energy: -1072.782 where: short stacking energy: -475.847 Base-Backbone interact. energy: 2.689 local terms energy: -574.172855 where: bonds (distance) C4'-P energy: -132.701 bonds (distance) P-C4' energy: -148.019 flat angles C4'-P-C4' energy: -132.438 flat angles P-C4'-P energy: -73.177 tors. eta vs tors. theta energy: -87.838 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: 2 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1539.074764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.074764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.074764 (E_RNA) where: Base-Base interactions energy: -968.253 where: short stacking energy: -420.896 Base-Backbone interact. energy: -4.556 local terms energy: -566.265105 where: bonds (distance) C4'-P energy: -131.866 bonds (distance) P-C4' energy: -148.319 flat angles C4'-P-C4' energy: -136.973 flat angles P-C4'-P energy: -89.984 tors. eta vs tors. theta energy: -59.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -789.461522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.461522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.461522 (E_RNA) where: Base-Base interactions energy: -347.186 where: short stacking energy: -226.308 Base-Backbone interact. energy: 0.091 local terms energy: -442.366771 where: bonds (distance) C4'-P energy: -152.360 bonds (distance) P-C4' energy: -122.951 flat angles C4'-P-C4' energy: -109.486 flat angles P-C4'-P energy: -69.714 tors. eta vs tors. theta energy: 12.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -3063.100081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.100081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.100081 (E_RNA) where: Base-Base interactions energy: -2178.743 where: short stacking energy: -890.335 Base-Backbone interact. energy: -3.812 local terms energy: -880.545452 where: bonds (distance) C4'-P energy: -141.339 bonds (distance) P-C4' energy: -167.601 flat angles C4'-P-C4' energy: -181.177 flat angles P-C4'-P energy: -144.209 tors. eta vs tors. theta energy: -246.220 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: 2, replica: 5 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2850.678769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.678769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.678769 (E_RNA) where: Base-Base interactions energy: -2003.282 where: short stacking energy: -811.932 Base-Backbone interact. energy: -3.100 local terms energy: -844.297074 where: bonds (distance) C4'-P energy: -179.169 bonds (distance) P-C4' energy: -145.356 flat angles C4'-P-C4' energy: -178.798 flat angles P-C4'-P energy: -116.225 tors. eta vs tors. theta energy: -224.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2677.148589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.148589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.148589 (E_RNA) where: Base-Base interactions energy: -1856.939 where: short stacking energy: -801.372 Base-Backbone interact. energy: -5.311 local terms energy: -814.897867 where: bonds (distance) C4'-P energy: -144.188 bonds (distance) P-C4' energy: -166.836 flat angles C4'-P-C4' energy: -184.680 flat angles P-C4'-P energy: -101.873 tors. eta vs tors. theta energy: -217.321 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: 7 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2617.400628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.400628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.400628 (E_RNA) where: Base-Base interactions energy: -1805.100 where: short stacking energy: -770.428 Base-Backbone interact. energy: -5.298 local terms energy: -807.002379 where: bonds (distance) C4'-P energy: -166.301 bonds (distance) P-C4' energy: -126.783 flat angles C4'-P-C4' energy: -180.623 flat angles P-C4'-P energy: -113.922 tors. eta vs tors. theta energy: -219.374 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: 4 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2330.645418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.645418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.645418 (E_RNA) where: Base-Base interactions energy: -1593.205 where: short stacking energy: -700.388 Base-Backbone interact. energy: -1.281 local terms energy: -736.158900 where: bonds (distance) C4'-P energy: -130.566 bonds (distance) P-C4' energy: -141.371 flat angles C4'-P-C4' energy: -169.205 flat angles P-C4'-P energy: -99.308 tors. eta vs tors. theta energy: -195.709 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: 338 Temperature: 1.150000 Total energy: -2165.102030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.102030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.102030 (E_RNA) where: Base-Base interactions energy: -1467.793 where: short stacking energy: -637.123 Base-Backbone interact. energy: -4.442 local terms energy: -692.867314 where: bonds (distance) C4'-P energy: -136.539 bonds (distance) P-C4' energy: -147.120 flat angles C4'-P-C4' energy: -164.958 flat angles P-C4'-P energy: -98.033 tors. eta vs tors. theta energy: -146.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -2074.449897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.449897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.449897 (E_RNA) where: Base-Base interactions energy: -1397.910 where: short stacking energy: -585.677 Base-Backbone interact. energy: 4.407 local terms energy: -680.946636 where: bonds (distance) C4'-P energy: -147.701 bonds (distance) P-C4' energy: -136.536 flat angles C4'-P-C4' energy: -137.689 flat angles P-C4'-P energy: -111.447 tors. eta vs tors. theta energy: -147.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1605.090177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.090177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.090177 (E_RNA) where: Base-Base interactions energy: -1036.296 where: short stacking energy: -467.148 Base-Backbone interact. energy: -1.484 local terms energy: -567.310396 where: bonds (distance) C4'-P energy: -126.854 bonds (distance) P-C4' energy: -145.488 flat angles C4'-P-C4' energy: -133.416 flat angles P-C4'-P energy: -66.379 tors. eta vs tors. theta energy: -95.173 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: 9, replica: 2 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1532.799065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.799065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.799065 (E_RNA) where: Base-Base interactions energy: -972.735 where: short stacking energy: -433.132 Base-Backbone interact. energy: -2.387 local terms energy: -557.676869 where: bonds (distance) C4'-P energy: -138.468 bonds (distance) P-C4' energy: -134.504 flat angles C4'-P-C4' energy: -123.734 flat angles P-C4'-P energy: -78.435 tors. eta vs tors. theta energy: -82.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -801.929641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.929641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.929641 (E_RNA) where: Base-Base interactions energy: -371.664 where: short stacking energy: -249.364 Base-Backbone interact. energy: -2.997 local terms energy: -427.268829 where: bonds (distance) C4'-P energy: -139.386 bonds (distance) P-C4' energy: -137.670 flat angles C4'-P-C4' energy: -92.609 flat angles P-C4'-P energy: -63.602 tors. eta vs tors. theta energy: 5.998 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: 3 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -3074.187564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.187564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.187564 (E_RNA) where: Base-Base interactions energy: -2200.805 where: short stacking energy: -877.881 Base-Backbone interact. energy: -5.362 local terms energy: -868.021352 where: bonds (distance) C4'-P energy: -153.239 bonds (distance) P-C4' energy: -169.988 flat angles C4'-P-C4' energy: -175.212 flat angles P-C4'-P energy: -127.273 tors. eta vs tors. theta energy: -242.309 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: 339 Temperature: 0.950000 Total energy: -2794.876710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.876710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.876710 (E_RNA) where: Base-Base interactions energy: -1951.784 where: short stacking energy: -818.893 Base-Backbone interact. energy: -3.674 local terms energy: -839.419470 where: bonds (distance) C4'-P energy: -167.097 bonds (distance) P-C4' energy: -166.625 flat angles C4'-P-C4' energy: -163.462 flat angles P-C4'-P energy: -126.286 tors. eta vs tors. theta energy: -215.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2663.008710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.008710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.008710 (E_RNA) where: Base-Base interactions energy: -1840.187 where: short stacking energy: -789.020 Base-Backbone interact. energy: -4.597 local terms energy: -818.223853 where: bonds (distance) C4'-P energy: -162.683 bonds (distance) P-C4' energy: -159.273 flat angles C4'-P-C4' energy: -173.470 flat angles P-C4'-P energy: -111.592 tors. eta vs tors. theta energy: -211.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2573.429007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.429007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.429007 (E_RNA) where: Base-Base interactions energy: -1784.850 where: short stacking energy: -711.226 Base-Backbone interact. energy: 4.288 local terms energy: -792.867388 where: bonds (distance) C4'-P energy: -144.889 bonds (distance) P-C4' energy: -155.529 flat angles C4'-P-C4' energy: -183.951 flat angles P-C4'-P energy: -107.439 tors. eta vs tors. theta energy: -201.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2318.132389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.132389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.132389 (E_RNA) where: Base-Base interactions energy: -1531.090 where: short stacking energy: -658.751 Base-Backbone interact. energy: -5.677 local terms energy: -781.364912 where: bonds (distance) C4'-P energy: -156.901 bonds (distance) P-C4' energy: -162.107 flat angles C4'-P-C4' energy: -169.826 flat angles P-C4'-P energy: -119.895 tors. eta vs tors. theta energy: -172.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2175.409152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.409152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.409152 (E_RNA) where: Base-Base interactions energy: -1501.177 where: short stacking energy: -661.835 Base-Backbone interact. energy: 5.659 local terms energy: -679.891083 where: bonds (distance) C4'-P energy: -126.830 bonds (distance) P-C4' energy: -142.304 flat angles C4'-P-C4' energy: -160.909 flat angles P-C4'-P energy: -92.954 tors. eta vs tors. theta energy: -156.894 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: 6 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -2068.705754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.705754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.705754 (E_RNA) where: Base-Base interactions energy: -1390.826 where: short stacking energy: -596.544 Base-Backbone interact. energy: -2.183 local terms energy: -675.696177 where: bonds (distance) C4'-P energy: -128.181 bonds (distance) P-C4' energy: -131.198 flat angles C4'-P-C4' energy: -166.303 flat angles P-C4'-P energy: -100.116 tors. eta vs tors. theta energy: -149.899 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: 9 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1641.512453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.512453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.512453 (E_RNA) where: Base-Base interactions energy: -1021.838 where: short stacking energy: -462.259 Base-Backbone interact. energy: 3.018 local terms energy: -622.691925 where: bonds (distance) C4'-P energy: -120.287 bonds (distance) P-C4' energy: -163.366 flat angles C4'-P-C4' energy: -150.956 flat angles P-C4'-P energy: -90.508 tors. eta vs tors. theta energy: -97.575 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: 2 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1466.666034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.666034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.666034 (E_RNA) where: Base-Base interactions energy: -917.485 where: short stacking energy: -431.807 Base-Backbone interact. energy: 5.968 local terms energy: -555.148979 where: bonds (distance) C4'-P energy: -127.963 bonds (distance) P-C4' energy: -131.535 flat angles C4'-P-C4' energy: -129.659 flat angles P-C4'-P energy: -79.444 tors. eta vs tors. theta energy: -86.547 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: 10 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -779.438134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.438134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.438134 (E_RNA) where: Base-Base interactions energy: -331.290 where: short stacking energy: -225.125 Base-Backbone interact. energy: 4.634 local terms energy: -452.781992 where: bonds (distance) C4'-P energy: -131.935 bonds (distance) P-C4' energy: -128.746 flat angles C4'-P-C4' energy: -134.415 flat angles P-C4'-P energy: -55.350 tors. eta vs tors. theta energy: -2.336 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: 3 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -3064.903527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.903527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.903527 (E_RNA) where: Base-Base interactions energy: -2183.266 where: short stacking energy: -863.142 Base-Backbone interact. energy: -5.924 local terms energy: -875.713142 where: bonds (distance) C4'-P energy: -146.065 bonds (distance) P-C4' energy: -162.496 flat angles C4'-P-C4' energy: -193.650 flat angles P-C4'-P energy: -138.951 tors. eta vs tors. theta energy: -234.551 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: 340 Temperature: 0.950000 Total energy: -2831.434523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.434523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.434523 (E_RNA) where: Base-Base interactions energy: -1972.007 where: short stacking energy: -817.224 Base-Backbone interact. energy: -2.786 local terms energy: -856.641186 where: bonds (distance) C4'-P energy: -136.616 bonds (distance) P-C4' energy: -164.203 flat angles C4'-P-C4' energy: -188.754 flat angles P-C4'-P energy: -137.211 tors. eta vs tors. theta energy: -229.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2664.365643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.365643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.365643 (E_RNA) where: Base-Base interactions energy: -1848.164 where: short stacking energy: -771.442 Base-Backbone interact. energy: -4.254 local terms energy: -811.947498 where: bonds (distance) C4'-P energy: -146.338 bonds (distance) P-C4' energy: -165.539 flat angles C4'-P-C4' energy: -180.767 flat angles P-C4'-P energy: -110.484 tors. eta vs tors. theta energy: -208.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2597.801217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.801217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.801217 (E_RNA) where: Base-Base interactions energy: -1807.641 where: short stacking energy: -743.401 Base-Backbone interact. energy: -3.290 local terms energy: -786.870017 where: bonds (distance) C4'-P energy: -144.099 bonds (distance) P-C4' energy: -146.742 flat angles C4'-P-C4' energy: -175.035 flat angles P-C4'-P energy: -111.146 tors. eta vs tors. theta energy: -209.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2241.566053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.566053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.566053 (E_RNA) where: Base-Base interactions energy: -1505.526 where: short stacking energy: -669.139 Base-Backbone interact. energy: -2.538 local terms energy: -733.502080 where: bonds (distance) C4'-P energy: -142.436 bonds (distance) P-C4' energy: -158.160 flat angles C4'-P-C4' energy: -165.220 flat angles P-C4'-P energy: -99.930 tors. eta vs tors. theta energy: -167.756 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: 8 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -2222.688540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.688540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.688540 (E_RNA) where: Base-Base interactions energy: -1543.047 where: short stacking energy: -662.516 Base-Backbone interact. energy: 1.182 local terms energy: -680.824346 where: bonds (distance) C4'-P energy: -120.968 bonds (distance) P-C4' energy: -153.439 flat angles C4'-P-C4' energy: -150.846 flat angles P-C4'-P energy: -90.380 tors. eta vs tors. theta energy: -165.191 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: 6 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -2021.193586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.193586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.193586 (E_RNA) where: Base-Base interactions energy: -1376.295 where: short stacking energy: -588.788 Base-Backbone interact. energy: -3.505 local terms energy: -641.834765 where: bonds (distance) C4'-P energy: -138.465 bonds (distance) P-C4' energy: -126.491 flat angles C4'-P-C4' energy: -146.614 flat angles P-C4'-P energy: -86.212 tors. eta vs tors. theta energy: -144.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.441 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1665.577092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.577092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.577092 (E_RNA) where: Base-Base interactions energy: -1080.268 where: short stacking energy: -490.951 Base-Backbone interact. energy: 4.123 local terms energy: -589.432153 where: bonds (distance) C4'-P energy: -126.941 bonds (distance) P-C4' energy: -141.696 flat angles C4'-P-C4' energy: -139.269 flat angles P-C4'-P energy: -85.200 tors. eta vs tors. theta energy: -96.327 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: 9, replica: 2 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1524.851476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.851476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.851476 (E_RNA) where: Base-Base interactions energy: -948.431 where: short stacking energy: -421.998 Base-Backbone interact. energy: -2.616 local terms energy: -573.805233 where: bonds (distance) C4'-P energy: -115.748 bonds (distance) P-C4' energy: -156.953 flat angles C4'-P-C4' energy: -137.936 flat angles P-C4'-P energy: -82.866 tors. eta vs tors. theta energy: -80.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -781.446312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.446312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.446312 (E_RNA) where: Base-Base interactions energy: -315.809 where: short stacking energy: -195.241 Base-Backbone interact. energy: -1.657 local terms energy: -463.979946 where: bonds (distance) C4'-P energy: -117.192 bonds (distance) P-C4' energy: -155.524 flat angles C4'-P-C4' energy: -137.291 flat angles P-C4'-P energy: -62.331 tors. eta vs tors. theta energy: 8.359 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: 1, replica: 3 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -3064.603759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.603759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.603759 (E_RNA) where: Base-Base interactions energy: -2156.204 where: short stacking energy: -859.584 Base-Backbone interact. energy: -7.494 local terms energy: -900.905277 where: bonds (distance) C4'-P energy: -152.273 bonds (distance) P-C4' energy: -173.069 flat angles C4'-P-C4' energy: -195.744 flat angles P-C4'-P energy: -133.700 tors. eta vs tors. theta energy: -246.119 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: 5 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2843.345776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.345776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.345776 (E_RNA) where: Base-Base interactions energy: -1968.151 where: short stacking energy: -806.640 Base-Backbone interact. energy: -1.394 local terms energy: -873.800909 where: bonds (distance) C4'-P energy: -160.634 bonds (distance) P-C4' energy: -170.215 flat angles C4'-P-C4' energy: -190.060 flat angles P-C4'-P energy: -115.974 tors. eta vs tors. theta energy: -236.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2720.303264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.303264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.303264 (E_RNA) where: Base-Base interactions energy: -1911.336 where: short stacking energy: -788.766 Base-Backbone interact. energy: 1.661 local terms energy: -810.628746 where: bonds (distance) C4'-P energy: -143.188 bonds (distance) P-C4' energy: -171.241 flat angles C4'-P-C4' energy: -182.231 flat angles P-C4'-P energy: -104.628 tors. eta vs tors. theta energy: -209.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2611.718201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.718201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.718201 (E_RNA) where: Base-Base interactions energy: -1829.847 where: short stacking energy: -750.872 Base-Backbone interact. energy: -0.997 local terms energy: -780.874533 where: bonds (distance) C4'-P energy: -144.995 bonds (distance) P-C4' energy: -140.943 flat angles C4'-P-C4' energy: -170.286 flat angles P-C4'-P energy: -120.191 tors. eta vs tors. theta energy: -204.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2340.132282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.132282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.132282 (E_RNA) where: Base-Base interactions energy: -1605.792 where: short stacking energy: -690.740 Base-Backbone interact. energy: -2.057 local terms energy: -732.283282 where: bonds (distance) C4'-P energy: -131.795 bonds (distance) P-C4' energy: -142.889 flat angles C4'-P-C4' energy: -161.442 flat angles P-C4'-P energy: -105.988 tors. eta vs tors. theta energy: -190.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -2231.420543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.420543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.420543 (E_RNA) where: Base-Base interactions energy: -1532.725 where: short stacking energy: -659.894 Base-Backbone interact. energy: -5.255 local terms energy: -693.440627 where: bonds (distance) C4'-P energy: -128.175 bonds (distance) P-C4' energy: -165.373 flat angles C4'-P-C4' energy: -157.392 flat angles P-C4'-P energy: -72.813 tors. eta vs tors. theta energy: -169.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -2067.934422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.934422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.934422 (E_RNA) where: Base-Base interactions energy: -1398.943 where: short stacking energy: -600.269 Base-Backbone interact. energy: -1.072 local terms energy: -667.919990 where: bonds (distance) C4'-P energy: -118.367 bonds (distance) P-C4' energy: -156.549 flat angles C4'-P-C4' energy: -136.157 flat angles P-C4'-P energy: -101.434 tors. eta vs tors. theta energy: -155.413 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: 8, replica: 2 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1603.182800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.182800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.182800 (E_RNA) where: Base-Base interactions energy: -1014.792 where: short stacking energy: -459.799 Base-Backbone interact. energy: 3.950 local terms energy: -592.340908 where: bonds (distance) C4'-P energy: -135.226 bonds (distance) P-C4' energy: -159.939 flat angles C4'-P-C4' energy: -152.848 flat angles P-C4'-P energy: -82.980 tors. eta vs tors. theta energy: -61.348 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: 341 Temperature: 1.300000 Total energy: -1526.364387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.364387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.364387 (E_RNA) where: Base-Base interactions energy: -969.138 where: short stacking energy: -413.548 Base-Backbone interact. energy: -0.930 local terms energy: -556.296291 where: bonds (distance) C4'-P energy: -140.132 bonds (distance) P-C4' energy: -119.437 flat angles C4'-P-C4' energy: -152.993 flat angles P-C4'-P energy: -73.520 tors. eta vs tors. theta energy: -70.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -769.782297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.782297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.782297 (E_RNA) where: Base-Base interactions energy: -341.962 where: short stacking energy: -243.113 Base-Backbone interact. energy: 2.472 local terms energy: -430.292410 where: bonds (distance) C4'-P energy: -112.734 bonds (distance) P-C4' energy: -144.452 flat angles C4'-P-C4' energy: -111.643 flat angles P-C4'-P energy: -63.301 tors. eta vs tors. theta energy: 1.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -3035.659318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.659318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.659318 (E_RNA) where: Base-Base interactions energy: -2147.548 where: short stacking energy: -861.100 Base-Backbone interact. energy: -3.516 local terms energy: -884.595470 where: bonds (distance) C4'-P energy: -173.597 bonds (distance) P-C4' energy: -170.883 flat angles C4'-P-C4' energy: -173.358 flat angles P-C4'-P energy: -121.995 tors. eta vs tors. theta energy: -244.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2849.998589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.998589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.998589 (E_RNA) where: Base-Base interactions energy: -1980.911 where: short stacking energy: -816.171 Base-Backbone interact. energy: -8.905 local terms energy: -860.182831 where: bonds (distance) C4'-P energy: -176.634 bonds (distance) P-C4' energy: -158.527 flat angles C4'-P-C4' energy: -172.380 flat angles P-C4'-P energy: -118.296 tors. eta vs tors. theta energy: -234.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2733.172849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.172849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.172849 (E_RNA) where: Base-Base interactions energy: -1877.286 where: short stacking energy: -783.698 Base-Backbone interact. energy: -3.941 local terms energy: -851.946212 where: bonds (distance) C4'-P energy: -164.315 bonds (distance) P-C4' energy: -175.982 flat angles C4'-P-C4' energy: -184.137 flat angles P-C4'-P energy: -99.999 tors. eta vs tors. theta energy: -227.513 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: 4, replica: 1 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2605.432290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.432290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.432290 (E_RNA) where: Base-Base interactions energy: -1811.793 where: short stacking energy: -777.037 Base-Backbone interact. energy: -3.282 local terms energy: -790.356963 where: bonds (distance) C4'-P energy: -145.357 bonds (distance) P-C4' energy: -147.104 flat angles C4'-P-C4' energy: -174.325 flat angles P-C4'-P energy: -114.896 tors. eta vs tors. theta energy: -208.675 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: 342 Temperature: 1.100000 Total energy: -2311.529988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.529988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.529988 (E_RNA) where: Base-Base interactions energy: -1569.351 where: short stacking energy: -677.828 Base-Backbone interact. energy: -2.112 local terms energy: -740.066803 where: bonds (distance) C4'-P energy: -122.527 bonds (distance) P-C4' energy: -145.004 flat angles C4'-P-C4' energy: -169.329 flat angles P-C4'-P energy: -126.167 tors. eta vs tors. theta energy: -177.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -2215.689777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.689777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.689777 (E_RNA) where: Base-Base interactions energy: -1490.967 where: short stacking energy: -651.121 Base-Backbone interact. energy: -3.112 local terms energy: -721.610801 where: bonds (distance) C4'-P energy: -126.122 bonds (distance) P-C4' energy: -169.064 flat angles C4'-P-C4' energy: -159.276 flat angles P-C4'-P energy: -94.392 tors. eta vs tors. theta energy: -172.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -2098.093702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.093702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.093702 (E_RNA) where: Base-Base interactions energy: -1381.266 where: short stacking energy: -592.628 Base-Backbone interact. energy: -2.579 local terms energy: -714.248552 where: bonds (distance) C4'-P energy: -145.185 bonds (distance) P-C4' energy: -162.670 flat angles C4'-P-C4' energy: -135.434 flat angles P-C4'-P energy: -110.445 tors. eta vs tors. theta energy: -160.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1638.541571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.541571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.541571 (E_RNA) where: Base-Base interactions energy: -1047.831 where: short stacking energy: -469.310 Base-Backbone interact. energy: 1.949 local terms energy: -592.659255 where: bonds (distance) C4'-P energy: -141.053 bonds (distance) P-C4' energy: -142.499 flat angles C4'-P-C4' energy: -157.129 flat angles P-C4'-P energy: -83.018 tors. eta vs tors. theta energy: -68.961 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: 342 Temperature: 1.300000 Total energy: -1481.861391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.861391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.861391 (E_RNA) where: Base-Base interactions energy: -951.362 where: short stacking energy: -398.596 Base-Backbone interact. energy: -3.135 local terms energy: -527.364333 where: bonds (distance) C4'-P energy: -137.390 bonds (distance) P-C4' energy: -135.002 flat angles C4'-P-C4' energy: -122.078 flat angles P-C4'-P energy: -76.446 tors. eta vs tors. theta energy: -56.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -779.936986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.936986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.936986 (E_RNA) where: Base-Base interactions energy: -356.586 where: short stacking energy: -198.391 Base-Backbone interact. energy: -1.766 local terms energy: -421.584631 where: bonds (distance) C4'-P energy: -104.340 bonds (distance) P-C4' energy: -138.900 flat angles C4'-P-C4' energy: -107.466 flat angles P-C4'-P energy: -83.092 tors. eta vs tors. theta energy: 12.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -3078.955559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.955559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.955559 (E_RNA) where: Base-Base interactions energy: -2161.160 where: short stacking energy: -867.923 Base-Backbone interact. energy: -6.292 local terms energy: -911.503497 where: bonds (distance) C4'-P energy: -170.535 bonds (distance) P-C4' energy: -178.756 flat angles C4'-P-C4' energy: -170.777 flat angles P-C4'-P energy: -146.953 tors. eta vs tors. theta energy: -244.483 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: 5 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2877.784171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.784171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.784171 (E_RNA) where: Base-Base interactions energy: -2025.189 where: short stacking energy: -819.007 Base-Backbone interact. energy: 3.178 local terms energy: -855.772718 where: bonds (distance) C4'-P energy: -157.131 bonds (distance) P-C4' energy: -163.246 flat angles C4'-P-C4' energy: -188.378 flat angles P-C4'-P energy: -114.283 tors. eta vs tors. theta energy: -232.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2733.302527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.302527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.302527 (E_RNA) where: Base-Base interactions energy: -1873.918 where: short stacking energy: -780.302 Base-Backbone interact. energy: -0.756 local terms energy: -858.627608 where: bonds (distance) C4'-P energy: -170.325 bonds (distance) P-C4' energy: -172.008 flat angles C4'-P-C4' energy: -184.910 flat angles P-C4'-P energy: -110.810 tors. eta vs tors. theta energy: -220.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2585.161225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.161225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.161225 (E_RNA) where: Base-Base interactions energy: -1790.522 where: short stacking energy: -763.037 Base-Backbone interact. energy: -5.244 local terms energy: -789.395340 where: bonds (distance) C4'-P energy: -156.881 bonds (distance) P-C4' energy: -144.074 flat angles C4'-P-C4' energy: -163.986 flat angles P-C4'-P energy: -115.363 tors. eta vs tors. theta energy: -209.090 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: 4 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2287.734626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.734626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.734626 (E_RNA) where: Base-Base interactions energy: -1553.382 where: short stacking energy: -667.670 Base-Backbone interact. energy: -1.546 local terms energy: -732.806954 where: bonds (distance) C4'-P energy: -126.103 bonds (distance) P-C4' energy: -156.026 flat angles C4'-P-C4' energy: -178.063 flat angles P-C4'-P energy: -97.916 tors. eta vs tors. theta energy: -174.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -2230.696685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.696685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.696685 (E_RNA) where: Base-Base interactions energy: -1497.362 where: short stacking energy: -639.645 Base-Backbone interact. energy: -1.432 local terms energy: -731.903095 where: bonds (distance) C4'-P energy: -136.493 bonds (distance) P-C4' energy: -134.862 flat angles C4'-P-C4' energy: -168.886 flat angles P-C4'-P energy: -121.347 tors. eta vs tors. theta energy: -170.316 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: 6 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1995.898785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.898785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.898785 (E_RNA) where: Base-Base interactions energy: -1368.329 where: short stacking energy: -604.731 Base-Backbone interact. energy: 1.731 local terms energy: -629.300196 where: bonds (distance) C4'-P energy: -110.979 bonds (distance) P-C4' energy: -148.022 flat angles C4'-P-C4' energy: -138.232 flat angles P-C4'-P energy: -103.811 tors. eta vs tors. theta energy: -128.257 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: 2 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1624.409422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.409422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.409422 (E_RNA) where: Base-Base interactions energy: -1032.755 where: short stacking energy: -431.470 Base-Backbone interact. energy: -2.874 local terms energy: -588.780370 where: bonds (distance) C4'-P energy: -125.970 bonds (distance) P-C4' energy: -154.410 flat angles C4'-P-C4' energy: -142.408 flat angles P-C4'-P energy: -90.639 tors. eta vs tors. theta energy: -75.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -1487.224860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.224860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.224860 (E_RNA) where: Base-Base interactions energy: -953.141 where: short stacking energy: -407.889 Base-Backbone interact. energy: -1.137 local terms energy: -532.946631 where: bonds (distance) C4'-P energy: -149.288 bonds (distance) P-C4' energy: -131.736 flat angles C4'-P-C4' energy: -117.818 flat angles P-C4'-P energy: -68.426 tors. eta vs tors. theta energy: -65.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -819.257931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.257931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.257931 (E_RNA) where: Base-Base interactions energy: -407.382 where: short stacking energy: -231.418 Base-Backbone interact. energy: 4.689 local terms energy: -416.565262 where: bonds (distance) C4'-P energy: -121.928 bonds (distance) P-C4' energy: -125.310 flat angles C4'-P-C4' energy: -106.066 flat angles P-C4'-P energy: -67.213 tors. eta vs tors. theta energy: 3.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -3063.550072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.550072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.550072 (E_RNA) where: Base-Base interactions energy: -2158.989 where: short stacking energy: -839.510 Base-Backbone interact. energy: -6.003 local terms energy: -898.558777 where: bonds (distance) C4'-P energy: -162.667 bonds (distance) P-C4' energy: -174.749 flat angles C4'-P-C4' energy: -193.226 flat angles P-C4'-P energy: -132.646 tors. eta vs tors. theta energy: -235.270 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: 344 Temperature: 0.950000 Total energy: -2866.203398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.203398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.203398 (E_RNA) where: Base-Base interactions energy: -2007.625 where: short stacking energy: -839.622 Base-Backbone interact. energy: 1.589 local terms energy: -860.166571 where: bonds (distance) C4'-P energy: -151.423 bonds (distance) P-C4' energy: -175.467 flat angles C4'-P-C4' energy: -188.052 flat angles P-C4'-P energy: -115.837 tors. eta vs tors. theta energy: -229.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2710.427580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.427580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.427580 (E_RNA) where: Base-Base interactions energy: -1839.276 where: short stacking energy: -760.033 Base-Backbone interact. energy: -5.064 local terms energy: -866.087884 where: bonds (distance) C4'-P energy: -157.841 bonds (distance) P-C4' energy: -185.101 flat angles C4'-P-C4' energy: -192.420 flat angles P-C4'-P energy: -120.835 tors. eta vs tors. theta energy: -209.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2596.071772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.071772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.071772 (E_RNA) where: Base-Base interactions energy: -1825.036 where: short stacking energy: -760.690 Base-Backbone interact. energy: -4.969 local terms energy: -766.067446 where: bonds (distance) C4'-P energy: -141.979 bonds (distance) P-C4' energy: -136.880 flat angles C4'-P-C4' energy: -182.934 flat angles P-C4'-P energy: -114.299 tors. eta vs tors. theta energy: -189.975 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: 8 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2321.555739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.555739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.555739 (E_RNA) where: Base-Base interactions energy: -1554.011 where: short stacking energy: -667.461 Base-Backbone interact. energy: -2.517 local terms energy: -765.027838 where: bonds (distance) C4'-P energy: -142.823 bonds (distance) P-C4' energy: -165.819 flat angles C4'-P-C4' energy: -156.242 flat angles P-C4'-P energy: -116.584 tors. eta vs tors. theta energy: -183.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -2258.756273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.756273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.756273 (E_RNA) where: Base-Base interactions energy: -1557.225 where: short stacking energy: -646.971 Base-Backbone interact. energy: -2.127 local terms energy: -699.404269 where: bonds (distance) C4'-P energy: -116.981 bonds (distance) P-C4' energy: -158.095 flat angles C4'-P-C4' energy: -148.199 flat angles P-C4'-P energy: -106.664 tors. eta vs tors. theta energy: -169.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -2035.873605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.873605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.873605 (E_RNA) where: Base-Base interactions energy: -1391.705 where: short stacking energy: -594.640 Base-Backbone interact. energy: 2.732 local terms energy: -646.900370 where: bonds (distance) C4'-P energy: -121.714 bonds (distance) P-C4' energy: -147.813 flat angles C4'-P-C4' energy: -145.008 flat angles P-C4'-P energy: -96.235 tors. eta vs tors. theta energy: -136.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1552.439121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.439121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.439121 (E_RNA) where: Base-Base interactions energy: -968.529 where: short stacking energy: -452.598 Base-Backbone interact. energy: 2.395 local terms energy: -586.305102 where: bonds (distance) C4'-P energy: -136.906 bonds (distance) P-C4' energy: -143.365 flat angles C4'-P-C4' energy: -130.539 flat angles P-C4'-P energy: -98.526 tors. eta vs tors. theta energy: -76.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1508.936545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.936545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.936545 (E_RNA) where: Base-Base interactions energy: -966.882 where: short stacking energy: -427.489 Base-Backbone interact. energy: 0.016 local terms energy: -542.070244 where: bonds (distance) C4'-P energy: -128.548 bonds (distance) P-C4' energy: -113.887 flat angles C4'-P-C4' energy: -131.572 flat angles P-C4'-P energy: -84.422 tors. eta vs tors. theta energy: -83.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -747.880789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.880789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.880789 (E_RNA) where: Base-Base interactions energy: -357.613 where: short stacking energy: -216.825 Base-Backbone interact. energy: 5.383 local terms energy: -395.650270 where: bonds (distance) C4'-P energy: -128.680 bonds (distance) P-C4' energy: -140.416 flat angles C4'-P-C4' energy: -90.988 flat angles P-C4'-P energy: -65.905 tors. eta vs tors. theta energy: 30.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -3067.033594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.033594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.033594 (E_RNA) where: Base-Base interactions energy: -2206.383 where: short stacking energy: -866.955 Base-Backbone interact. energy: -5.339 local terms energy: -855.311704 where: bonds (distance) C4'-P energy: -152.911 bonds (distance) P-C4' energy: -156.789 flat angles C4'-P-C4' energy: -176.067 flat angles P-C4'-P energy: -134.182 tors. eta vs tors. theta energy: -235.362 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: 5 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2848.002870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.002870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.002870 (E_RNA) where: Base-Base interactions energy: -1973.668 where: short stacking energy: -834.135 Base-Backbone interact. energy: -3.082 local terms energy: -871.253347 where: bonds (distance) C4'-P energy: -172.956 bonds (distance) P-C4' energy: -180.812 flat angles C4'-P-C4' energy: -179.249 flat angles P-C4'-P energy: -111.707 tors. eta vs tors. theta energy: -226.530 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: 7 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2703.547260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.547260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.547260 (E_RNA) where: Base-Base interactions energy: -1882.395 where: short stacking energy: -796.536 Base-Backbone interact. energy: -4.460 local terms energy: -816.691453 where: bonds (distance) C4'-P energy: -138.954 bonds (distance) P-C4' energy: -156.437 flat angles C4'-P-C4' energy: -176.321 flat angles P-C4'-P energy: -122.805 tors. eta vs tors. theta energy: -222.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2617.118432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.118432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.118432 (E_RNA) where: Base-Base interactions energy: -1824.019 where: short stacking energy: -743.475 Base-Backbone interact. energy: -4.585 local terms energy: -788.513945 where: bonds (distance) C4'-P energy: -149.958 bonds (distance) P-C4' energy: -155.261 flat angles C4'-P-C4' energy: -158.386 flat angles P-C4'-P energy: -120.220 tors. eta vs tors. theta energy: -204.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2322.644166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.644166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.644166 (E_RNA) where: Base-Base interactions energy: -1581.030 where: short stacking energy: -667.200 Base-Backbone interact. energy: 1.508 local terms energy: -743.122099 where: bonds (distance) C4'-P energy: -135.577 bonds (distance) P-C4' energy: -164.058 flat angles C4'-P-C4' energy: -167.298 flat angles P-C4'-P energy: -108.491 tors. eta vs tors. theta energy: -167.698 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: 4 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -2271.015960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.015960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.015960 (E_RNA) where: Base-Base interactions energy: -1571.194 where: short stacking energy: -668.233 Base-Backbone interact. energy: -2.208 local terms energy: -697.614326 where: bonds (distance) C4'-P energy: -125.040 bonds (distance) P-C4' energy: -139.005 flat angles C4'-P-C4' energy: -158.018 flat angles P-C4'-P energy: -92.262 tors. eta vs tors. theta energy: -183.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -2000.365523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.365523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.365523 (E_RNA) where: Base-Base interactions energy: -1347.633 where: short stacking energy: -582.277 Base-Backbone interact. energy: -1.251 local terms energy: -652.716751 where: bonds (distance) C4'-P energy: -132.732 bonds (distance) P-C4' energy: -153.505 flat angles C4'-P-C4' energy: -142.292 flat angles P-C4'-P energy: -93.666 tors. eta vs tors. theta energy: -130.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.235 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1581.409879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.409879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.409879 (E_RNA) where: Base-Base interactions energy: -1003.294 where: short stacking energy: -475.757 Base-Backbone interact. energy: 1.322 local terms energy: -579.438155 where: bonds (distance) C4'-P energy: -124.391 bonds (distance) P-C4' energy: -146.366 flat angles C4'-P-C4' energy: -136.340 flat angles P-C4'-P energy: -88.535 tors. eta vs tors. theta energy: -83.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -1592.330444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.330444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.330444 (E_RNA) where: Base-Base interactions energy: -1070.098 where: short stacking energy: -465.009 Base-Backbone interact. energy: 0.135 local terms energy: -522.366937 where: bonds (distance) C4'-P energy: -132.041 bonds (distance) P-C4' energy: -116.768 flat angles C4'-P-C4' energy: -132.503 flat angles P-C4'-P energy: -68.537 tors. eta vs tors. theta energy: -72.518 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: 10, replica: 10 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -757.119287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.119287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.119287 (E_RNA) where: Base-Base interactions energy: -350.646 where: short stacking energy: -231.685 Base-Backbone interact. energy: -3.755 local terms energy: -402.718016 where: bonds (distance) C4'-P energy: -113.138 bonds (distance) P-C4' energy: -144.167 flat angles C4'-P-C4' energy: -86.079 flat angles P-C4'-P energy: -63.254 tors. eta vs tors. theta energy: 3.919 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: 346 Temperature: 0.900000 Total energy: -3111.908999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.908999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.908999 (E_RNA) where: Base-Base interactions energy: -2196.127 where: short stacking energy: -873.240 Base-Backbone interact. energy: -4.721 local terms energy: -911.060912 where: bonds (distance) C4'-P energy: -161.406 bonds (distance) P-C4' energy: -170.804 flat angles C4'-P-C4' energy: -186.528 flat angles P-C4'-P energy: -146.111 tors. eta vs tors. theta energy: -246.212 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: 2, replica: 5 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2816.958903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.958903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.958903 (E_RNA) where: Base-Base interactions energy: -1992.261 where: short stacking energy: -823.014 Base-Backbone interact. energy: -2.779 local terms energy: -821.918834 where: bonds (distance) C4'-P energy: -136.871 bonds (distance) P-C4' energy: -150.916 flat angles C4'-P-C4' energy: -192.527 flat angles P-C4'-P energy: -108.739 tors. eta vs tors. theta energy: -232.866 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: 7 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2680.836449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.836449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.836449 (E_RNA) where: Base-Base interactions energy: -1882.088 where: short stacking energy: -785.046 Base-Backbone interact. energy: -3.093 local terms energy: -795.655567 where: bonds (distance) C4'-P energy: -131.954 bonds (distance) P-C4' energy: -161.931 flat angles C4'-P-C4' energy: -172.918 flat angles P-C4'-P energy: -117.449 tors. eta vs tors. theta energy: -211.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2542.947974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.947974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.947974 (E_RNA) where: Base-Base interactions energy: -1776.289 where: short stacking energy: -747.586 Base-Backbone interact. energy: -5.274 local terms energy: -761.384455 where: bonds (distance) C4'-P energy: -122.226 bonds (distance) P-C4' energy: -158.630 flat angles C4'-P-C4' energy: -159.762 flat angles P-C4'-P energy: -113.331 tors. eta vs tors. theta energy: -207.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2340.129545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.129545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.129545 (E_RNA) where: Base-Base interactions energy: -1589.589 where: short stacking energy: -705.195 Base-Backbone interact. energy: 0.077 local terms energy: -750.938199 where: bonds (distance) C4'-P energy: -144.110 bonds (distance) P-C4' energy: -149.087 flat angles C4'-P-C4' energy: -163.637 flat angles P-C4'-P energy: -100.365 tors. eta vs tors. theta energy: -193.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.320 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -2324.844609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.844609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.844609 (E_RNA) where: Base-Base interactions energy: -1596.561 where: short stacking energy: -676.932 Base-Backbone interact. energy: -3.306 local terms energy: -724.977052 where: bonds (distance) C4'-P energy: -141.239 bonds (distance) P-C4' energy: -166.167 flat angles C4'-P-C4' energy: -144.511 flat angles P-C4'-P energy: -93.667 tors. eta vs tors. theta energy: -179.393 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: 6 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -2004.061460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.061460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.061460 (E_RNA) where: Base-Base interactions energy: -1359.875 where: short stacking energy: -570.866 Base-Backbone interact. energy: -1.107 local terms energy: -643.079524 where: bonds (distance) C4'-P energy: -122.220 bonds (distance) P-C4' energy: -152.285 flat angles C4'-P-C4' energy: -139.467 flat angles P-C4'-P energy: -100.925 tors. eta vs tors. theta energy: -128.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1627.687492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.687492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.687492 (E_RNA) where: Base-Base interactions energy: -1006.791 where: short stacking energy: -474.498 Base-Backbone interact. energy: -1.364 local terms energy: -619.532168 where: bonds (distance) C4'-P energy: -131.605 bonds (distance) P-C4' energy: -151.850 flat angles C4'-P-C4' energy: -144.989 flat angles P-C4'-P energy: -89.997 tors. eta vs tors. theta energy: -101.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1532.760164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.760164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.760164 (E_RNA) where: Base-Base interactions energy: -973.092 where: short stacking energy: -434.108 Base-Backbone interact. energy: -1.923 local terms energy: -557.745462 where: bonds (distance) C4'-P energy: -127.469 bonds (distance) P-C4' energy: -134.052 flat angles C4'-P-C4' energy: -138.215 flat angles P-C4'-P energy: -96.507 tors. eta vs tors. theta energy: -61.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -728.530734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.530734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.530734 (E_RNA) where: Base-Base interactions energy: -305.367 where: short stacking energy: -212.076 Base-Backbone interact. energy: 3.081 local terms energy: -426.245179 where: bonds (distance) C4'-P energy: -136.417 bonds (distance) P-C4' energy: -143.012 flat angles C4'-P-C4' energy: -106.875 flat angles P-C4'-P energy: -73.195 tors. eta vs tors. theta energy: 33.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -3046.623454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.623454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.623454 (E_RNA) where: Base-Base interactions energy: -2170.655 where: short stacking energy: -858.592 Base-Backbone interact. energy: -4.620 local terms energy: -871.348211 where: bonds (distance) C4'-P energy: -159.386 bonds (distance) P-C4' energy: -170.526 flat angles C4'-P-C4' energy: -177.935 flat angles P-C4'-P energy: -120.299 tors. eta vs tors. theta energy: -243.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2788.896216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.896216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.896216 (E_RNA) where: Base-Base interactions energy: -1955.488 where: short stacking energy: -781.187 Base-Backbone interact. energy: -6.973 local terms energy: -826.435012 where: bonds (distance) C4'-P energy: -130.618 bonds (distance) P-C4' energy: -179.024 flat angles C4'-P-C4' energy: -184.717 flat angles P-C4'-P energy: -129.229 tors. eta vs tors. theta energy: -202.846 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: 7 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2697.806347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.806347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.806347 (E_RNA) where: Base-Base interactions energy: -1866.934 where: short stacking energy: -781.935 Base-Backbone interact. energy: -3.410 local terms energy: -827.461827 where: bonds (distance) C4'-P energy: -143.679 bonds (distance) P-C4' energy: -173.864 flat angles C4'-P-C4' energy: -173.742 flat angles P-C4'-P energy: -129.412 tors. eta vs tors. theta energy: -206.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2591.801300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.801300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.801300 (E_RNA) where: Base-Base interactions energy: -1776.629 where: short stacking energy: -736.751 Base-Backbone interact. energy: 3.880 local terms energy: -819.051950 where: bonds (distance) C4'-P energy: -147.779 bonds (distance) P-C4' energy: -162.399 flat angles C4'-P-C4' energy: -183.307 flat angles P-C4'-P energy: -121.413 tors. eta vs tors. theta energy: -204.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2356.066264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.066264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.066264 (E_RNA) where: Base-Base interactions energy: -1602.113 where: short stacking energy: -675.375 Base-Backbone interact. energy: 1.093 local terms energy: -755.046274 where: bonds (distance) C4'-P energy: -119.815 bonds (distance) P-C4' energy: -172.100 flat angles C4'-P-C4' energy: -174.984 flat angles P-C4'-P energy: -115.222 tors. eta vs tors. theta energy: -172.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -2350.377684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.377684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.377684 (E_RNA) where: Base-Base interactions energy: -1608.645 where: short stacking energy: -680.812 Base-Backbone interact. energy: -2.405 local terms energy: -739.328102 where: bonds (distance) C4'-P energy: -124.049 bonds (distance) P-C4' energy: -154.495 flat angles C4'-P-C4' energy: -167.504 flat angles P-C4'-P energy: -106.184 tors. eta vs tors. theta energy: -187.097 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: 347 Temperature: 1.200000 Total energy: -1991.176076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.176076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.176076 (E_RNA) where: Base-Base interactions energy: -1318.860 where: short stacking energy: -577.307 Base-Backbone interact. energy: 1.011 local terms energy: -673.326503 where: bonds (distance) C4'-P energy: -133.018 bonds (distance) P-C4' energy: -162.023 flat angles C4'-P-C4' energy: -150.466 flat angles P-C4'-P energy: -105.716 tors. eta vs tors. theta energy: -122.103 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: 9 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1667.853098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.853098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.853098 (E_RNA) where: Base-Base interactions energy: -1112.253 where: short stacking energy: -492.039 Base-Backbone interact. energy: 4.751 local terms energy: -560.351646 where: bonds (distance) C4'-P energy: -122.731 bonds (distance) P-C4' energy: -139.914 flat angles C4'-P-C4' energy: -124.411 flat angles P-C4'-P energy: -73.864 tors. eta vs tors. theta energy: -99.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1510.043533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.043533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.043533 (E_RNA) where: Base-Base interactions energy: -950.665 where: short stacking energy: -420.398 Base-Backbone interact. energy: 7.710 local terms energy: -567.087947 where: bonds (distance) C4'-P energy: -120.905 bonds (distance) P-C4' energy: -142.094 flat angles C4'-P-C4' energy: -136.449 flat angles P-C4'-P energy: -87.828 tors. eta vs tors. theta energy: -79.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -707.843365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.843365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.843365 (E_RNA) where: Base-Base interactions energy: -302.888 where: short stacking energy: -197.392 Base-Backbone interact. energy: 0.999 local terms energy: -405.954858 where: bonds (distance) C4'-P energy: -123.828 bonds (distance) P-C4' energy: -124.365 flat angles C4'-P-C4' energy: -115.951 flat angles P-C4'-P energy: -77.152 tors. eta vs tors. theta energy: 35.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -3084.130038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.130038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.130038 (E_RNA) where: Base-Base interactions energy: -2197.276 where: short stacking energy: -862.446 Base-Backbone interact. energy: -4.597 local terms energy: -882.256410 where: bonds (distance) C4'-P energy: -147.863 bonds (distance) P-C4' energy: -176.521 flat angles C4'-P-C4' energy: -187.800 flat angles P-C4'-P energy: -126.169 tors. eta vs tors. theta energy: -243.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2785.239116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.239116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.239116 (E_RNA) where: Base-Base interactions energy: -1951.530 where: short stacking energy: -808.785 Base-Backbone interact. energy: -4.215 local terms energy: -829.493971 where: bonds (distance) C4'-P energy: -153.402 bonds (distance) P-C4' energy: -170.346 flat angles C4'-P-C4' energy: -162.873 flat angles P-C4'-P energy: -129.072 tors. eta vs tors. theta energy: -213.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2693.840914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.840914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.840914 (E_RNA) where: Base-Base interactions energy: -1850.761 where: short stacking energy: -775.092 Base-Backbone interact. energy: -3.680 local terms energy: -839.399976 where: bonds (distance) C4'-P energy: -146.525 bonds (distance) P-C4' energy: -176.711 flat angles C4'-P-C4' energy: -178.446 flat angles P-C4'-P energy: -125.911 tors. eta vs tors. theta energy: -211.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2602.870778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.870778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.870778 (E_RNA) where: Base-Base interactions energy: -1780.624 where: short stacking energy: -739.470 Base-Backbone interact. energy: 0.197 local terms energy: -822.443475 where: bonds (distance) C4'-P energy: -150.127 bonds (distance) P-C4' energy: -166.666 flat angles C4'-P-C4' energy: -169.404 flat angles P-C4'-P energy: -122.004 tors. eta vs tors. theta energy: -214.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2413.037449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.037449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.037449 (E_RNA) where: Base-Base interactions energy: -1663.572 where: short stacking energy: -703.735 Base-Backbone interact. energy: 6.638 local terms energy: -756.104056 where: bonds (distance) C4'-P energy: -138.740 bonds (distance) P-C4' energy: -137.450 flat angles C4'-P-C4' energy: -173.088 flat angles P-C4'-P energy: -107.405 tors. eta vs tors. theta energy: -199.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -2220.756309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.756309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.756309 (E_RNA) where: Base-Base interactions energy: -1523.689 where: short stacking energy: -657.073 Base-Backbone interact. energy: -3.041 local terms energy: -694.026999 where: bonds (distance) C4'-P energy: -132.173 bonds (distance) P-C4' energy: -150.457 flat angles C4'-P-C4' energy: -152.304 flat angles P-C4'-P energy: -103.747 tors. eta vs tors. theta energy: -155.346 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: 348 Temperature: 1.200000 Total energy: -1949.848378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.848378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.848378 (E_RNA) where: Base-Base interactions energy: -1289.380 where: short stacking energy: -552.086 Base-Backbone interact. energy: 1.031 local terms energy: -661.499378 where: bonds (distance) C4'-P energy: -141.417 bonds (distance) P-C4' energy: -166.343 flat angles C4'-P-C4' energy: -147.081 flat angles P-C4'-P energy: -85.909 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: 8, replica: 9 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1730.416300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.416300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.416300 (E_RNA) where: Base-Base interactions energy: -1139.253 where: short stacking energy: -494.252 Base-Backbone interact. energy: 8.473 local terms energy: -599.636893 where: bonds (distance) C4'-P energy: -125.437 bonds (distance) P-C4' energy: -145.852 flat angles C4'-P-C4' energy: -154.149 flat angles P-C4'-P energy: -81.869 tors. eta vs tors. theta energy: -92.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -1585.696133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.696133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.696133 (E_RNA) where: Base-Base interactions energy: -1004.982 where: short stacking energy: -458.915 Base-Backbone interact. energy: 0.921 local terms energy: -581.634698 where: bonds (distance) C4'-P energy: -131.989 bonds (distance) P-C4' energy: -146.183 flat angles C4'-P-C4' energy: -123.578 flat angles P-C4'-P energy: -86.057 tors. eta vs tors. theta energy: -93.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -767.463174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.463174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.463174 (E_RNA) where: Base-Base interactions energy: -330.520 where: short stacking energy: -193.304 Base-Backbone interact. energy: 3.835 local terms energy: -440.777973 where: bonds (distance) C4'-P energy: -115.893 bonds (distance) P-C4' energy: -141.005 flat angles C4'-P-C4' energy: -109.933 flat angles P-C4'-P energy: -90.196 tors. eta vs tors. theta energy: 16.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -3081.474615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.474615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.474615 (E_RNA) where: Base-Base interactions energy: -2182.345 where: short stacking energy: -878.646 Base-Backbone interact. energy: -3.284 local terms energy: -895.846231 where: bonds (distance) C4'-P energy: -151.304 bonds (distance) P-C4' energy: -181.647 flat angles C4'-P-C4' energy: -187.988 flat angles P-C4'-P energy: -128.193 tors. eta vs tors. theta energy: -246.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2823.802393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.802393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.802393 (E_RNA) where: Base-Base interactions energy: -1984.204 where: short stacking energy: -811.741 Base-Backbone interact. energy: -2.826 local terms energy: -836.771646 where: bonds (distance) C4'-P energy: -149.203 bonds (distance) P-C4' energy: -165.860 flat angles C4'-P-C4' energy: -172.464 flat angles P-C4'-P energy: -126.644 tors. eta vs tors. theta energy: -222.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2714.886524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.886524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.886524 (E_RNA) where: Base-Base interactions energy: -1880.568 where: short stacking energy: -802.454 Base-Backbone interact. energy: -2.163 local terms energy: -832.155392 where: bonds (distance) C4'-P energy: -141.729 bonds (distance) P-C4' energy: -167.754 flat angles C4'-P-C4' energy: -187.390 flat angles P-C4'-P energy: -115.102 tors. eta vs tors. theta energy: -220.179 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: 1 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2623.927957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.927957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.927957 (E_RNA) where: Base-Base interactions energy: -1800.547 where: short stacking energy: -764.510 Base-Backbone interact. energy: -3.786 local terms energy: -819.594948 where: bonds (distance) C4'-P energy: -159.492 bonds (distance) P-C4' energy: -157.836 flat angles C4'-P-C4' energy: -175.952 flat angles P-C4'-P energy: -113.508 tors. eta vs tors. theta energy: -212.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2428.662688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.662688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.662688 (E_RNA) where: Base-Base interactions energy: -1666.253 where: short stacking energy: -697.524 Base-Backbone interact. energy: -1.119 local terms energy: -761.289960 where: bonds (distance) C4'-P energy: -146.463 bonds (distance) P-C4' energy: -138.596 flat angles C4'-P-C4' energy: -179.318 flat angles P-C4'-P energy: -105.526 tors. eta vs tors. theta energy: -191.388 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: 8 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -2284.642486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.642486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.642486 (E_RNA) where: Base-Base interactions energy: -1582.632 where: short stacking energy: -672.512 Base-Backbone interact. energy: -2.902 local terms energy: -699.108509 where: bonds (distance) C4'-P energy: -135.838 bonds (distance) P-C4' energy: -139.359 flat angles C4'-P-C4' energy: -161.412 flat angles P-C4'-P energy: -98.637 tors. eta vs tors. theta energy: -163.863 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: 6 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -2022.533837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.533837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.533837 (E_RNA) where: Base-Base interactions energy: -1352.968 where: short stacking energy: -580.499 Base-Backbone interact. energy: -2.160 local terms energy: -667.406031 where: bonds (distance) C4'-P energy: -127.036 bonds (distance) P-C4' energy: -152.911 flat angles C4'-P-C4' energy: -152.592 flat angles P-C4'-P energy: -108.472 tors. eta vs tors. theta energy: -126.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1774.583108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.583108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.583108 (E_RNA) where: Base-Base interactions energy: -1149.225 where: short stacking energy: -557.004 Base-Backbone interact. energy: -0.802 local terms energy: -624.556352 where: bonds (distance) C4'-P energy: -110.746 bonds (distance) P-C4' energy: -153.452 flat angles C4'-P-C4' energy: -161.407 flat angles P-C4'-P energy: -81.863 tors. eta vs tors. theta energy: -117.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -1605.709057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.709057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.709057 (E_RNA) where: Base-Base interactions energy: -1036.465 where: short stacking energy: -469.029 Base-Backbone interact. energy: 1.250 local terms energy: -570.493438 where: bonds (distance) C4'-P energy: -125.356 bonds (distance) P-C4' energy: -149.843 flat angles C4'-P-C4' energy: -128.210 flat angles P-C4'-P energy: -103.994 tors. eta vs tors. theta energy: -63.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -731.519664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.519664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.519664 (E_RNA) where: Base-Base interactions energy: -348.827 where: short stacking energy: -216.742 Base-Backbone interact. energy: 4.426 local terms energy: -387.118933 where: bonds (distance) C4'-P energy: -124.196 bonds (distance) P-C4' energy: -137.156 flat angles C4'-P-C4' energy: -103.828 flat angles P-C4'-P energy: -69.308 tors. eta vs tors. theta energy: 47.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -3090.601690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.601690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.601690 (E_RNA) where: Base-Base interactions energy: -2196.819 where: short stacking energy: -857.936 Base-Backbone interact. energy: -6.145 local terms energy: -887.636982 where: bonds (distance) C4'-P energy: -177.634 bonds (distance) P-C4' energy: -162.324 flat angles C4'-P-C4' energy: -185.876 flat angles P-C4'-P energy: -120.576 tors. eta vs tors. theta energy: -241.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2838.221879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.221879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.221879 (E_RNA) where: Base-Base interactions energy: -1960.216 where: short stacking energy: -809.375 Base-Backbone interact. energy: -5.255 local terms energy: -872.750812 where: bonds (distance) C4'-P energy: -161.760 bonds (distance) P-C4' energy: -171.687 flat angles C4'-P-C4' energy: -179.407 flat angles P-C4'-P energy: -135.971 tors. eta vs tors. theta energy: -223.927 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: 7 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2695.323736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.323736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.323736 (E_RNA) where: Base-Base interactions energy: -1875.926 where: short stacking energy: -796.852 Base-Backbone interact. energy: -4.786 local terms energy: -814.612162 where: bonds (distance) C4'-P energy: -147.384 bonds (distance) P-C4' energy: -157.673 flat angles C4'-P-C4' energy: -170.278 flat angles P-C4'-P energy: -119.376 tors. eta vs tors. theta energy: -219.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2605.126606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.126606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.126606 (E_RNA) where: Base-Base interactions energy: -1817.924 where: short stacking energy: -738.706 Base-Backbone interact. energy: -2.145 local terms energy: -785.058095 where: bonds (distance) C4'-P energy: -134.851 bonds (distance) P-C4' energy: -172.157 flat angles C4'-P-C4' energy: -170.063 flat angles P-C4'-P energy: -116.587 tors. eta vs tors. theta energy: -191.400 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: 350 Temperature: 1.100000 Total energy: -2413.055294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.055294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.055294 (E_RNA) where: Base-Base interactions energy: -1665.315 where: short stacking energy: -697.172 Base-Backbone interact. energy: -2.845 local terms energy: -744.895468 where: bonds (distance) C4'-P energy: -124.972 bonds (distance) P-C4' energy: -143.457 flat angles C4'-P-C4' energy: -183.460 flat angles P-C4'-P energy: -119.908 tors. eta vs tors. theta energy: -173.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -2294.258062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.258062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.258062 (E_RNA) where: Base-Base interactions energy: -1576.008 where: short stacking energy: -645.314 Base-Backbone interact. energy: -2.276 local terms energy: -715.974167 where: bonds (distance) C4'-P energy: -131.916 bonds (distance) P-C4' energy: -151.288 flat angles C4'-P-C4' energy: -165.840 flat angles P-C4'-P energy: -113.558 tors. eta vs tors. theta energy: -153.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -2012.165681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.165681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.165681 (E_RNA) where: Base-Base interactions energy: -1323.240 where: short stacking energy: -578.532 Base-Backbone interact. energy: -1.433 local terms energy: -687.492171 where: bonds (distance) C4'-P energy: -146.452 bonds (distance) P-C4' energy: -149.652 flat angles C4'-P-C4' energy: -133.581 flat angles P-C4'-P energy: -118.674 tors. eta vs tors. theta energy: -139.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1693.892782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.892782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.892782 (E_RNA) where: Base-Base interactions energy: -1129.278 where: short stacking energy: -484.394 Base-Backbone interact. energy: -1.449 local terms energy: -563.166404 where: bonds (distance) C4'-P energy: -102.599 bonds (distance) P-C4' energy: -150.569 flat angles C4'-P-C4' energy: -141.906 flat angles P-C4'-P energy: -82.509 tors. eta vs tors. theta energy: -85.583 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: 9, replica: 2 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1573.904482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.904482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.904482 (E_RNA) where: Base-Base interactions energy: -1003.160 where: short stacking energy: -440.380 Base-Backbone interact. energy: -0.287 local terms energy: -570.457394 where: bonds (distance) C4'-P energy: -115.971 bonds (distance) P-C4' energy: -144.303 flat angles C4'-P-C4' energy: -143.869 flat angles P-C4'-P energy: -84.720 tors. eta vs tors. theta energy: -81.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -723.582585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.582585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.582585 (E_RNA) where: Base-Base interactions energy: -316.153 where: short stacking energy: -214.503 Base-Backbone interact. energy: -0.620 local terms energy: -406.809377 where: bonds (distance) C4'-P energy: -133.981 bonds (distance) P-C4' energy: -141.232 flat angles C4'-P-C4' energy: -103.288 flat angles P-C4'-P energy: -52.363 tors. eta vs tors. theta energy: 24.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -3062.606944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.606944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.606944 (E_RNA) where: Base-Base interactions energy: -2194.549 where: short stacking energy: -869.108 Base-Backbone interact. energy: -5.653 local terms energy: -862.404910 where: bonds (distance) C4'-P energy: -150.041 bonds (distance) P-C4' energy: -182.516 flat angles C4'-P-C4' energy: -171.266 flat angles P-C4'-P energy: -126.090 tors. eta vs tors. theta energy: -232.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2866.143240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.143240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.143240 (E_RNA) where: Base-Base interactions energy: -2008.166 where: short stacking energy: -838.637 Base-Backbone interact. energy: -4.353 local terms energy: -853.624363 where: bonds (distance) C4'-P energy: -156.986 bonds (distance) P-C4' energy: -178.911 flat angles C4'-P-C4' energy: -188.535 flat angles P-C4'-P energy: -106.964 tors. eta vs tors. theta energy: -222.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2686.665333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.665333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.665333 (E_RNA) where: Base-Base interactions energy: -1873.580 where: short stacking energy: -762.583 Base-Backbone interact. energy: -2.433 local terms energy: -810.652483 where: bonds (distance) C4'-P energy: -145.638 bonds (distance) P-C4' energy: -179.034 flat angles C4'-P-C4' energy: -179.430 flat angles P-C4'-P energy: -102.202 tors. eta vs tors. theta energy: -204.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2570.225351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.225351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.225351 (E_RNA) where: Base-Base interactions energy: -1807.290 where: short stacking energy: -740.401 Base-Backbone interact. energy: -0.728 local terms energy: -762.206830 where: bonds (distance) C4'-P energy: -134.634 bonds (distance) P-C4' energy: -142.406 flat angles C4'-P-C4' energy: -159.314 flat angles P-C4'-P energy: -109.697 tors. eta vs tors. theta energy: -216.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2409.428900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.428900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.428900 (E_RNA) where: Base-Base interactions energy: -1644.855 where: short stacking energy: -694.770 Base-Backbone interact. energy: -3.088 local terms energy: -761.486399 where: bonds (distance) C4'-P energy: -135.403 bonds (distance) P-C4' energy: -166.082 flat angles C4'-P-C4' energy: -157.860 flat angles P-C4'-P energy: -110.428 tors. eta vs tors. theta energy: -191.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -2268.043212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.043212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.043212 (E_RNA) where: Base-Base interactions energy: -1570.553 where: short stacking energy: -688.136 Base-Backbone interact. energy: 2.058 local terms energy: -699.548167 where: bonds (distance) C4'-P energy: -125.472 bonds (distance) P-C4' energy: -155.454 flat angles C4'-P-C4' energy: -143.570 flat angles P-C4'-P energy: -84.422 tors. eta vs tors. theta energy: -190.630 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: 7, replica: 6 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -2062.661542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.661542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.661542 (E_RNA) where: Base-Base interactions energy: -1373.373 where: short stacking energy: -561.183 Base-Backbone interact. energy: 2.366 local terms energy: -691.729757 where: bonds (distance) C4'-P energy: -137.960 bonds (distance) P-C4' energy: -138.547 flat angles C4'-P-C4' energy: -171.317 flat angles P-C4'-P energy: -94.609 tors. eta vs tors. theta energy: -149.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.075 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1689.185752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.185752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.185752 (E_RNA) where: Base-Base interactions energy: -1067.615 where: short stacking energy: -472.377 Base-Backbone interact. energy: -1.268 local terms energy: -620.302987 where: bonds (distance) C4'-P energy: -131.366 bonds (distance) P-C4' energy: -151.025 flat angles C4'-P-C4' energy: -146.265 flat angles P-C4'-P energy: -100.625 tors. eta vs tors. theta energy: -91.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -1486.141829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.141829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.141829 (E_RNA) where: Base-Base interactions energy: -979.847 where: short stacking energy: -420.573 Base-Backbone interact. energy: 0.669 local terms energy: -506.963574 where: bonds (distance) C4'-P energy: -108.827 bonds (distance) P-C4' energy: -131.806 flat angles C4'-P-C4' energy: -132.570 flat angles P-C4'-P energy: -73.773 tors. eta vs tors. theta energy: -59.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -734.139602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.139602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.139602 (E_RNA) where: Base-Base interactions energy: -290.672 where: short stacking energy: -203.695 Base-Backbone interact. energy: -0.100 local terms energy: -443.367991 where: bonds (distance) C4'-P energy: -126.220 bonds (distance) P-C4' energy: -137.203 flat angles C4'-P-C4' energy: -137.370 flat angles P-C4'-P energy: -70.526 tors. eta vs tors. theta energy: 27.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -3058.072561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3058.072561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3058.072561 (E_RNA) where: Base-Base interactions energy: -2176.625 where: short stacking energy: -844.074 Base-Backbone interact. energy: 0.728 local terms energy: -882.175570 where: bonds (distance) C4'-P energy: -159.395 bonds (distance) P-C4' energy: -178.926 flat angles C4'-P-C4' energy: -178.880 flat angles P-C4'-P energy: -126.947 tors. eta vs tors. theta energy: -238.028 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: 5 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2818.729339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.729339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.729339 (E_RNA) where: Base-Base interactions energy: -1961.784 where: short stacking energy: -814.749 Base-Backbone interact. energy: -4.391 local terms energy: -852.554850 where: bonds (distance) C4'-P energy: -161.402 bonds (distance) P-C4' energy: -157.514 flat angles C4'-P-C4' energy: -185.781 flat angles P-C4'-P energy: -121.290 tors. eta vs tors. theta energy: -226.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2683.210534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.210534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.210534 (E_RNA) where: Base-Base interactions energy: -1871.739 where: short stacking energy: -781.301 Base-Backbone interact. energy: -1.119 local terms energy: -810.352479 where: bonds (distance) C4'-P energy: -156.967 bonds (distance) P-C4' energy: -150.454 flat angles C4'-P-C4' energy: -171.839 flat angles P-C4'-P energy: -119.023 tors. eta vs tors. theta energy: -212.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2591.147528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.147528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.147528 (E_RNA) where: Base-Base interactions energy: -1807.029 where: short stacking energy: -753.464 Base-Backbone interact. energy: -2.251 local terms energy: -781.867313 where: bonds (distance) C4'-P energy: -147.119 bonds (distance) P-C4' energy: -155.034 flat angles C4'-P-C4' energy: -151.157 flat angles P-C4'-P energy: -116.766 tors. eta vs tors. theta energy: -211.791 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: 4 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2392.628081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.628081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.628081 (E_RNA) where: Base-Base interactions energy: -1635.588 where: short stacking energy: -702.843 Base-Backbone interact. energy: -4.090 local terms energy: -752.949525 where: bonds (distance) C4'-P energy: -137.531 bonds (distance) P-C4' energy: -147.618 flat angles C4'-P-C4' energy: -169.398 flat angles P-C4'-P energy: -106.525 tors. eta vs tors. theta energy: -191.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -2330.859837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.859837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.859837 (E_RNA) where: Base-Base interactions energy: -1584.190 where: short stacking energy: -707.206 Base-Backbone interact. energy: -5.435 local terms energy: -741.235374 where: bonds (distance) C4'-P energy: -138.944 bonds (distance) P-C4' energy: -135.384 flat angles C4'-P-C4' energy: -170.843 flat angles P-C4'-P energy: -101.675 tors. eta vs tors. theta energy: -194.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -2064.656372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.656372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.656372 (E_RNA) where: Base-Base interactions energy: -1400.147 where: short stacking energy: -558.909 Base-Backbone interact. energy: -2.697 local terms energy: -661.812648 where: bonds (distance) C4'-P energy: -131.083 bonds (distance) P-C4' energy: -153.494 flat angles C4'-P-C4' energy: -147.772 flat angles P-C4'-P energy: -96.150 tors. eta vs tors. theta energy: -133.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1650.880142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.880142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.880142 (E_RNA) where: Base-Base interactions energy: -1075.724 where: short stacking energy: -520.114 Base-Backbone interact. energy: -2.729 local terms energy: -572.426886 where: bonds (distance) C4'-P energy: -125.936 bonds (distance) P-C4' energy: -125.941 flat angles C4'-P-C4' energy: -141.407 flat angles P-C4'-P energy: -75.859 tors. eta vs tors. theta energy: -103.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1529.805017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.805017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.805017 (E_RNA) where: Base-Base interactions energy: -980.549 where: short stacking energy: -443.850 Base-Backbone interact. energy: -1.042 local terms energy: -548.214393 where: bonds (distance) C4'-P energy: -123.665 bonds (distance) P-C4' energy: -128.946 flat angles C4'-P-C4' energy: -136.284 flat angles P-C4'-P energy: -80.166 tors. eta vs tors. theta energy: -79.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -703.010918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.010918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.010918 (E_RNA) where: Base-Base interactions energy: -312.197 where: short stacking energy: -171.511 Base-Backbone interact. energy: 0.550 local terms energy: -391.364212 where: bonds (distance) C4'-P energy: -122.464 bonds (distance) P-C4' energy: -129.878 flat angles C4'-P-C4' energy: -97.255 flat angles P-C4'-P energy: -63.511 tors. eta vs tors. theta energy: 21.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -3031.188233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.188233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.188233 (E_RNA) where: Base-Base interactions energy: -2155.988 where: short stacking energy: -842.126 Base-Backbone interact. energy: -2.188 local terms energy: -873.012088 where: bonds (distance) C4'-P energy: -153.486 bonds (distance) P-C4' energy: -185.964 flat angles C4'-P-C4' energy: -174.554 flat angles P-C4'-P energy: -120.327 tors. eta vs tors. theta energy: -238.682 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: 5 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2826.211333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.211333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.211333 (E_RNA) where: Base-Base interactions energy: -1982.620 where: short stacking energy: -800.515 Base-Backbone interact. energy: -6.213 local terms energy: -837.378904 where: bonds (distance) C4'-P energy: -156.931 bonds (distance) P-C4' energy: -153.538 flat angles C4'-P-C4' energy: -190.812 flat angles P-C4'-P energy: -122.657 tors. eta vs tors. theta energy: -213.441 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: 7 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2689.563499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.563499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.563499 (E_RNA) where: Base-Base interactions energy: -1871.272 where: short stacking energy: -772.245 Base-Backbone interact. energy: -3.041 local terms energy: -815.250102 where: bonds (distance) C4'-P energy: -140.769 bonds (distance) P-C4' energy: -167.751 flat angles C4'-P-C4' energy: -187.778 flat angles P-C4'-P energy: -109.184 tors. eta vs tors. theta energy: -209.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2652.707207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.707207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.707207 (E_RNA) where: Base-Base interactions energy: -1837.059 where: short stacking energy: -777.432 Base-Backbone interact. energy: -1.124 local terms energy: -814.524868 where: bonds (distance) C4'-P energy: -141.162 bonds (distance) P-C4' energy: -165.699 flat angles C4'-P-C4' energy: -165.109 flat angles P-C4'-P energy: -120.433 tors. eta vs tors. theta energy: -222.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2410.389487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.389487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.389487 (E_RNA) where: Base-Base interactions energy: -1659.607 where: short stacking energy: -706.819 Base-Backbone interact. energy: 3.962 local terms energy: -754.745244 where: bonds (distance) C4'-P energy: -123.469 bonds (distance) P-C4' energy: -161.141 flat angles C4'-P-C4' energy: -180.001 flat angles P-C4'-P energy: -96.931 tors. eta vs tors. theta energy: -193.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -2252.108435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.108435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.108435 (E_RNA) where: Base-Base interactions energy: -1525.851 where: short stacking energy: -655.838 Base-Backbone interact. energy: -5.597 local terms energy: -720.660836 where: bonds (distance) C4'-P energy: -131.176 bonds (distance) P-C4' energy: -138.163 flat angles C4'-P-C4' energy: -161.186 flat angles P-C4'-P energy: -103.102 tors. eta vs tors. theta energy: -187.034 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: 6 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -2041.243182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.243182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.243182 (E_RNA) where: Base-Base interactions energy: -1372.975 where: short stacking energy: -602.906 Base-Backbone interact. energy: -2.139 local terms energy: -666.129219 where: bonds (distance) C4'-P energy: -135.198 bonds (distance) P-C4' energy: -151.668 flat angles C4'-P-C4' energy: -132.582 flat angles P-C4'-P energy: -98.952 tors. eta vs tors. theta energy: -147.729 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: 8, replica: 9 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1738.661963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.661963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.661963 (E_RNA) where: Base-Base interactions energy: -1120.125 where: short stacking energy: -496.958 Base-Backbone interact. energy: -2.207 local terms energy: -616.329374 where: bonds (distance) C4'-P energy: -139.405 bonds (distance) P-C4' energy: -139.772 flat angles C4'-P-C4' energy: -154.078 flat angles P-C4'-P energy: -78.980 tors. eta vs tors. theta energy: -104.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -1533.753905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.753905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.753905 (E_RNA) where: Base-Base interactions energy: -976.962 where: short stacking energy: -430.053 Base-Backbone interact. energy: -1.548 local terms energy: -555.244819 where: bonds (distance) C4'-P energy: -120.894 bonds (distance) P-C4' energy: -132.447 flat angles C4'-P-C4' energy: -135.109 flat angles P-C4'-P energy: -84.230 tors. eta vs tors. theta energy: -82.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -757.424195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.424195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.424195 (E_RNA) where: Base-Base interactions energy: -359.920 where: short stacking energy: -226.867 Base-Backbone interact. energy: 1.554 local terms energy: -399.057262 where: bonds (distance) C4'-P energy: -118.397 bonds (distance) P-C4' energy: -148.484 flat angles C4'-P-C4' energy: -98.825 flat angles P-C4'-P energy: -63.266 tors. eta vs tors. theta energy: 29.914 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: 1, replica: 3 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -3089.264320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.264320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.264320 (E_RNA) where: Base-Base interactions energy: -2177.898 where: short stacking energy: -861.471 Base-Backbone interact. energy: -4.102 local terms energy: -907.264358 where: bonds (distance) C4'-P energy: -159.419 bonds (distance) P-C4' energy: -172.162 flat angles C4'-P-C4' energy: -190.949 flat angles P-C4'-P energy: -138.381 tors. eta vs tors. theta energy: -246.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2822.564000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.564000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.564000 (E_RNA) where: Base-Base interactions energy: -1992.785 where: short stacking energy: -799.566 Base-Backbone interact. energy: -3.589 local terms energy: -826.189979 where: bonds (distance) C4'-P energy: -141.945 bonds (distance) P-C4' energy: -169.911 flat angles C4'-P-C4' energy: -184.143 flat angles P-C4'-P energy: -120.590 tors. eta vs tors. theta energy: -209.602 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: 7 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2655.458433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.458433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.458433 (E_RNA) where: Base-Base interactions energy: -1858.330 where: short stacking energy: -783.334 Base-Backbone interact. energy: -4.749 local terms energy: -792.380132 where: bonds (distance) C4'-P energy: -135.810 bonds (distance) P-C4' energy: -163.458 flat angles C4'-P-C4' energy: -170.412 flat angles P-C4'-P energy: -109.990 tors. eta vs tors. theta energy: -212.711 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: 1 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2584.852521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.852521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.852521 (E_RNA) where: Base-Base interactions energy: -1763.368 where: short stacking energy: -749.490 Base-Backbone interact. energy: -2.062 local terms energy: -819.422589 where: bonds (distance) C4'-P energy: -155.423 bonds (distance) P-C4' energy: -152.973 flat angles C4'-P-C4' energy: -173.359 flat angles P-C4'-P energy: -128.187 tors. eta vs tors. theta energy: -209.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2405.288273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.288273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.288273 (E_RNA) where: Base-Base interactions energy: -1653.129 where: short stacking energy: -702.145 Base-Backbone interact. energy: 0.208 local terms energy: -752.366800 where: bonds (distance) C4'-P energy: -134.023 bonds (distance) P-C4' energy: -162.686 flat angles C4'-P-C4' energy: -151.318 flat angles P-C4'-P energy: -118.000 tors. eta vs tors. theta energy: -186.339 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: 8 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -2256.776278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.776278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.776278 (E_RNA) where: Base-Base interactions energy: -1559.186 where: short stacking energy: -651.814 Base-Backbone interact. energy: -1.650 local terms energy: -696.110341 where: bonds (distance) C4'-P energy: -132.526 bonds (distance) P-C4' energy: -152.572 flat angles C4'-P-C4' energy: -153.321 flat angles P-C4'-P energy: -88.378 tors. eta vs tors. theta energy: -169.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.170 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1964.624146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.624146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.624146 (E_RNA) where: Base-Base interactions energy: -1337.741 where: short stacking energy: -587.460 Base-Backbone interact. energy: 2.159 local terms energy: -629.041874 where: bonds (distance) C4'-P energy: -129.572 bonds (distance) P-C4' energy: -131.832 flat angles C4'-P-C4' energy: -143.763 flat angles P-C4'-P energy: -79.211 tors. eta vs tors. theta energy: -144.664 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: 8, replica: 9 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1734.192799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.192799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.192799 (E_RNA) where: Base-Base interactions energy: -1174.703 where: short stacking energy: -517.634 Base-Backbone interact. energy: -2.956 local terms energy: -556.533785 where: bonds (distance) C4'-P energy: -131.598 bonds (distance) P-C4' energy: -111.045 flat angles C4'-P-C4' energy: -136.386 flat angles P-C4'-P energy: -75.260 tors. eta vs tors. theta energy: -102.244 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: 2 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -1459.134969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.134969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.134969 (E_RNA) where: Base-Base interactions energy: -922.052 where: short stacking energy: -455.045 Base-Backbone interact. energy: 0.422 local terms energy: -537.504484 where: bonds (distance) C4'-P energy: -127.074 bonds (distance) P-C4' energy: -149.919 flat angles C4'-P-C4' energy: -121.082 flat angles P-C4'-P energy: -71.058 tors. eta vs tors. theta energy: -68.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -724.341496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.341496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.341496 (E_RNA) where: Base-Base interactions energy: -310.074 where: short stacking energy: -191.881 Base-Backbone interact. energy: 0.461 local terms energy: -414.728411 where: bonds (distance) C4'-P energy: -140.376 bonds (distance) P-C4' energy: -142.859 flat angles C4'-P-C4' energy: -94.574 flat angles P-C4'-P energy: -56.565 tors. eta vs tors. theta energy: 19.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -3095.541601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.541601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.541601 (E_RNA) where: Base-Base interactions energy: -2209.688 where: short stacking energy: -852.829 Base-Backbone interact. energy: 3.744 local terms energy: -889.597703 where: bonds (distance) C4'-P energy: -175.985 bonds (distance) P-C4' energy: -168.371 flat angles C4'-P-C4' energy: -179.424 flat angles P-C4'-P energy: -124.898 tors. eta vs tors. theta energy: -240.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2844.664841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.664841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.664841 (E_RNA) where: Base-Base interactions energy: -1967.565 where: short stacking energy: -782.165 Base-Backbone interact. energy: -4.483 local terms energy: -872.616980 where: bonds (distance) C4'-P energy: -152.671 bonds (distance) P-C4' energy: -168.544 flat angles C4'-P-C4' energy: -195.967 flat angles P-C4'-P energy: -140.820 tors. eta vs tors. theta energy: -214.616 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: 7 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2697.000816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.000816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.000816 (E_RNA) where: Base-Base interactions energy: -1883.614 where: short stacking energy: -780.717 Base-Backbone interact. energy: -5.604 local terms energy: -807.783352 where: bonds (distance) C4'-P energy: -132.407 bonds (distance) P-C4' energy: -176.425 flat angles C4'-P-C4' energy: -165.774 flat angles P-C4'-P energy: -126.714 tors. eta vs tors. theta energy: -206.465 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: 4 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2439.853519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.853519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.853519 (E_RNA) where: Base-Base interactions energy: -1691.960 where: short stacking energy: -704.636 Base-Backbone interact. energy: -2.398 local terms energy: -745.496291 where: bonds (distance) C4'-P energy: -140.044 bonds (distance) P-C4' energy: -156.837 flat angles C4'-P-C4' energy: -174.260 flat angles P-C4'-P energy: -98.326 tors. eta vs tors. theta energy: -176.031 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: 355 Temperature: 1.100000 Total energy: -2500.934452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.934452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.934452 (E_RNA) where: Base-Base interactions energy: -1718.415 where: short stacking energy: -707.979 Base-Backbone interact. energy: -7.183 local terms energy: -775.336565 where: bonds (distance) C4'-P energy: -142.543 bonds (distance) P-C4' energy: -142.505 flat angles C4'-P-C4' energy: -175.365 flat angles P-C4'-P energy: -122.139 tors. eta vs tors. theta energy: -192.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -2220.673291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.673291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.673291 (E_RNA) where: Base-Base interactions energy: -1522.107 where: short stacking energy: -638.805 Base-Backbone interact. energy: 0.219 local terms energy: -698.785487 where: bonds (distance) C4'-P energy: -152.330 bonds (distance) P-C4' energy: -151.733 flat angles C4'-P-C4' energy: -143.193 flat angles P-C4'-P energy: -86.833 tors. eta vs tors. theta energy: -164.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1957.709406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.709406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.709406 (E_RNA) where: Base-Base interactions energy: -1337.757 where: short stacking energy: -574.276 Base-Backbone interact. energy: 2.402 local terms energy: -622.354803 where: bonds (distance) C4'-P energy: -103.355 bonds (distance) P-C4' energy: -146.049 flat angles C4'-P-C4' energy: -161.833 flat angles P-C4'-P energy: -88.031 tors. eta vs tors. theta energy: -123.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1669.731342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.731342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.731342 (E_RNA) where: Base-Base interactions energy: -1039.566 where: short stacking energy: -477.108 Base-Backbone interact. energy: 3.038 local terms energy: -633.202591 where: bonds (distance) C4'-P energy: -116.640 bonds (distance) P-C4' energy: -149.971 flat angles C4'-P-C4' energy: -149.036 flat angles P-C4'-P energy: -103.480 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: 9, replica: 2 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1569.656839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.656839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.656839 (E_RNA) where: Base-Base interactions energy: -1017.817 where: short stacking energy: -464.944 Base-Backbone interact. energy: 2.662 local terms energy: -554.501592 where: bonds (distance) C4'-P energy: -136.670 bonds (distance) P-C4' energy: -143.760 flat angles C4'-P-C4' energy: -137.708 flat angles P-C4'-P energy: -67.783 tors. eta vs tors. theta energy: -68.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -741.648682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.648682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.648682 (E_RNA) where: Base-Base interactions energy: -328.783 where: short stacking energy: -230.208 Base-Backbone interact. energy: -0.255 local terms energy: -412.645907 where: bonds (distance) C4'-P energy: -120.975 bonds (distance) P-C4' energy: -123.666 flat angles C4'-P-C4' energy: -121.070 flat angles P-C4'-P energy: -69.969 tors. eta vs tors. theta energy: 23.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.035 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -3081.765094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.765094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.765094 (E_RNA) where: Base-Base interactions energy: -2178.596 where: short stacking energy: -849.117 Base-Backbone interact. energy: -5.226 local terms energy: -897.942995 where: bonds (distance) C4'-P energy: -161.622 bonds (distance) P-C4' energy: -174.088 flat angles C4'-P-C4' energy: -188.728 flat angles P-C4'-P energy: -129.687 tors. eta vs tors. theta energy: -243.819 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: 356 Temperature: 0.950000 Total energy: -2860.441132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.441132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.441132 (E_RNA) where: Base-Base interactions energy: -1948.645 where: short stacking energy: -814.422 Base-Backbone interact. energy: -3.402 local terms energy: -908.394216 where: bonds (distance) C4'-P energy: -181.868 bonds (distance) P-C4' energy: -179.606 flat angles C4'-P-C4' energy: -185.011 flat angles P-C4'-P energy: -137.868 tors. eta vs tors. theta energy: -224.041 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: 7 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2669.827995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.827995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.827995 (E_RNA) where: Base-Base interactions energy: -1829.244 where: short stacking energy: -767.360 Base-Backbone interact. energy: -7.617 local terms energy: -832.967770 where: bonds (distance) C4'-P energy: -164.951 bonds (distance) P-C4' energy: -166.146 flat angles C4'-P-C4' energy: -173.764 flat angles P-C4'-P energy: -116.151 tors. eta vs tors. theta energy: -211.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2517.525951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.525951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.525951 (E_RNA) where: Base-Base interactions energy: -1733.796 where: short stacking energy: -742.155 Base-Backbone interact. energy: 0.814 local terms energy: -784.543595 where: bonds (distance) C4'-P energy: -140.513 bonds (distance) P-C4' energy: -164.393 flat angles C4'-P-C4' energy: -169.676 flat angles P-C4'-P energy: -114.265 tors. eta vs tors. theta energy: -195.697 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: 5, replica: 1 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2502.121633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.121633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.121633 (E_RNA) where: Base-Base interactions energy: -1737.935 where: short stacking energy: -701.903 Base-Backbone interact. energy: -3.496 local terms energy: -760.690052 where: bonds (distance) C4'-P energy: -135.176 bonds (distance) P-C4' energy: -166.782 flat angles C4'-P-C4' energy: -174.533 flat angles P-C4'-P energy: -105.229 tors. eta vs tors. theta energy: -178.970 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: 8 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -2256.326740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.326740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.326740 (E_RNA) where: Base-Base interactions energy: -1526.745 where: short stacking energy: -641.786 Base-Backbone interact. energy: -1.762 local terms energy: -727.820135 where: bonds (distance) C4'-P energy: -124.392 bonds (distance) P-C4' energy: -162.430 flat angles C4'-P-C4' energy: -168.956 flat angles P-C4'-P energy: -108.775 tors. eta vs tors. theta energy: -163.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1975.301353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.301353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.301353 (E_RNA) where: Base-Base interactions energy: -1358.678 where: short stacking energy: -614.517 Base-Backbone interact. energy: 0.200 local terms energy: -616.822964 where: bonds (distance) C4'-P energy: -125.698 bonds (distance) P-C4' energy: -148.625 flat angles C4'-P-C4' energy: -145.541 flat angles P-C4'-P energy: -55.230 tors. eta vs tors. theta energy: -141.729 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: 8, replica: 9 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1700.396269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.396269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.396269 (E_RNA) where: Base-Base interactions energy: -1103.005 where: short stacking energy: -518.340 Base-Backbone interact. energy: 4.767 local terms energy: -602.157539 where: bonds (distance) C4'-P energy: -134.196 bonds (distance) P-C4' energy: -126.225 flat angles C4'-P-C4' energy: -140.995 flat angles P-C4'-P energy: -89.802 tors. eta vs tors. theta energy: -110.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -1455.256392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.256392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.256392 (E_RNA) where: Base-Base interactions energy: -905.425 where: short stacking energy: -398.504 Base-Backbone interact. energy: 1.433 local terms energy: -551.264354 where: bonds (distance) C4'-P energy: -134.613 bonds (distance) P-C4' energy: -141.968 flat angles C4'-P-C4' energy: -127.654 flat angles P-C4'-P energy: -79.184 tors. eta vs tors. theta energy: -67.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -705.362219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.362219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.362219 (E_RNA) where: Base-Base interactions energy: -320.649 where: short stacking energy: -197.763 Base-Backbone interact. energy: 0.189 local terms energy: -384.901862 where: bonds (distance) C4'-P energy: -147.813 bonds (distance) P-C4' energy: -110.588 flat angles C4'-P-C4' energy: -117.337 flat angles P-C4'-P energy: -33.865 tors. eta vs tors. theta energy: 24.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -3049.777577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.777577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.777577 (E_RNA) where: Base-Base interactions energy: -2173.127 where: short stacking energy: -856.072 Base-Backbone interact. energy: -3.558 local terms energy: -873.092553 where: bonds (distance) C4'-P energy: -163.758 bonds (distance) P-C4' energy: -161.567 flat angles C4'-P-C4' energy: -175.048 flat angles P-C4'-P energy: -141.971 tors. eta vs tors. theta energy: -230.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2833.733132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.733132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.733132 (E_RNA) where: Base-Base interactions energy: -1982.311 where: short stacking energy: -842.854 Base-Backbone interact. energy: -5.332 local terms energy: -846.090250 where: bonds (distance) C4'-P energy: -148.174 bonds (distance) P-C4' energy: -156.712 flat angles C4'-P-C4' energy: -192.092 flat angles P-C4'-P energy: -117.615 tors. eta vs tors. theta energy: -231.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2680.383504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.383504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.383504 (E_RNA) where: Base-Base interactions energy: -1842.678 where: short stacking energy: -769.203 Base-Backbone interact. energy: 1.073 local terms energy: -838.778669 where: bonds (distance) C4'-P energy: -141.282 bonds (distance) P-C4' energy: -171.806 flat angles C4'-P-C4' energy: -171.233 flat angles P-C4'-P energy: -126.270 tors. eta vs tors. theta energy: -228.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2586.213955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.213955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.213955 (E_RNA) where: Base-Base interactions energy: -1808.017 where: short stacking energy: -762.630 Base-Backbone interact. energy: -1.605 local terms energy: -776.591560 where: bonds (distance) C4'-P energy: -141.158 bonds (distance) P-C4' energy: -145.527 flat angles C4'-P-C4' energy: -174.965 flat angles P-C4'-P energy: -106.043 tors. eta vs tors. theta energy: -208.899 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: 357 Temperature: 1.100000 Total energy: -2411.458578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.458578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.458578 (E_RNA) where: Base-Base interactions energy: -1661.447 where: short stacking energy: -709.153 Base-Backbone interact. energy: -0.691 local terms energy: -749.319741 where: bonds (distance) C4'-P energy: -151.630 bonds (distance) P-C4' energy: -150.970 flat angles C4'-P-C4' energy: -153.066 flat angles P-C4'-P energy: -103.291 tors. eta vs tors. theta energy: -190.363 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: 8 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -2350.736701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.736701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.736701 (E_RNA) where: Base-Base interactions energy: -1608.881 where: short stacking energy: -677.890 Base-Backbone interact. energy: -0.797 local terms energy: -741.058781 where: bonds (distance) C4'-P energy: -147.258 bonds (distance) P-C4' energy: -145.640 flat angles C4'-P-C4' energy: -151.802 flat angles P-C4'-P energy: -113.740 tors. eta vs tors. theta energy: -182.619 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: 6 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1955.215742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.215742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.215742 (E_RNA) where: Base-Base interactions energy: -1311.744 where: short stacking energy: -566.568 Base-Backbone interact. energy: -3.095 local terms energy: -640.377259 where: bonds (distance) C4'-P energy: -126.843 bonds (distance) P-C4' energy: -141.608 flat angles C4'-P-C4' energy: -144.069 flat angles P-C4'-P energy: -109.633 tors. eta vs tors. theta energy: -118.224 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: 9 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1661.951277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.951277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.951277 (E_RNA) where: Base-Base interactions energy: -1064.907 where: short stacking energy: -456.116 Base-Backbone interact. energy: 1.953 local terms energy: -598.997032 where: bonds (distance) C4'-P energy: -139.828 bonds (distance) P-C4' energy: -147.895 flat angles C4'-P-C4' energy: -139.736 flat angles P-C4'-P energy: -93.942 tors. eta vs tors. theta energy: -77.596 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: 2 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -1395.417241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.417241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.417241 (E_RNA) where: Base-Base interactions energy: -845.580 where: short stacking energy: -409.264 Base-Backbone interact. energy: -3.055 local terms energy: -546.782108 where: bonds (distance) C4'-P energy: -138.849 bonds (distance) P-C4' energy: -125.133 flat angles C4'-P-C4' energy: -125.480 flat angles P-C4'-P energy: -80.794 tors. eta vs tors. theta energy: -76.526 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: 10 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -767.815860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.815860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.815860 (E_RNA) where: Base-Base interactions energy: -362.338 where: short stacking energy: -244.995 Base-Backbone interact. energy: 6.506 local terms energy: -411.983686 where: bonds (distance) C4'-P energy: -140.312 bonds (distance) P-C4' energy: -122.646 flat angles C4'-P-C4' energy: -117.949 flat angles P-C4'-P energy: -37.141 tors. eta vs tors. theta energy: 6.065 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: 3 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -3104.130497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.130497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.130497 (E_RNA) where: Base-Base interactions energy: -2221.017 where: short stacking energy: -886.836 Base-Backbone interact. energy: -3.548 local terms energy: -879.564711 where: bonds (distance) C4'-P energy: -159.223 bonds (distance) P-C4' energy: -162.912 flat angles C4'-P-C4' energy: -191.554 flat angles P-C4'-P energy: -122.012 tors. eta vs tors. theta energy: -243.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2825.668721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.668721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.668721 (E_RNA) where: Base-Base interactions energy: -1998.022 where: short stacking energy: -811.931 Base-Backbone interact. energy: -6.285 local terms energy: -821.361791 where: bonds (distance) C4'-P energy: -152.511 bonds (distance) P-C4' energy: -155.979 flat angles C4'-P-C4' energy: -174.549 flat angles P-C4'-P energy: -115.201 tors. eta vs tors. theta energy: -223.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2725.720431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.720431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.720431 (E_RNA) where: Base-Base interactions energy: -1870.589 where: short stacking energy: -791.687 Base-Backbone interact. energy: -3.240 local terms energy: -851.890593 where: bonds (distance) C4'-P energy: -158.456 bonds (distance) P-C4' energy: -164.723 flat angles C4'-P-C4' energy: -173.708 flat angles P-C4'-P energy: -129.470 tors. eta vs tors. theta energy: -225.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2589.749982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.749982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.749982 (E_RNA) where: Base-Base interactions energy: -1818.617 where: short stacking energy: -775.932 Base-Backbone interact. energy: -0.083 local terms energy: -771.049916 where: bonds (distance) C4'-P energy: -136.803 bonds (distance) P-C4' energy: -157.225 flat angles C4'-P-C4' energy: -154.078 flat angles P-C4'-P energy: -106.168 tors. eta vs tors. theta energy: -216.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2385.259348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.259348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.259348 (E_RNA) where: Base-Base interactions energy: -1634.021 where: short stacking energy: -701.521 Base-Backbone interact. energy: -0.407 local terms energy: -750.831282 where: bonds (distance) C4'-P energy: -137.566 bonds (distance) P-C4' energy: -158.479 flat angles C4'-P-C4' energy: -171.656 flat angles P-C4'-P energy: -97.222 tors. eta vs tors. theta energy: -185.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -2269.298751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.298751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.298751 (E_RNA) where: Base-Base interactions energy: -1548.414 where: short stacking energy: -680.042 Base-Backbone interact. energy: 0.523 local terms energy: -721.407548 where: bonds (distance) C4'-P energy: -135.691 bonds (distance) P-C4' energy: -151.999 flat angles C4'-P-C4' energy: -150.988 flat angles P-C4'-P energy: -96.658 tors. eta vs tors. theta energy: -186.072 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: 6 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -2014.199427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.199427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.199427 (E_RNA) where: Base-Base interactions energy: -1355.981 where: short stacking energy: -620.305 Base-Backbone interact. energy: 2.189 local terms energy: -660.407952 where: bonds (distance) C4'-P energy: -134.231 bonds (distance) P-C4' energy: -134.057 flat angles C4'-P-C4' energy: -140.547 flat angles P-C4'-P energy: -88.784 tors. eta vs tors. theta energy: -162.789 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: 9 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1663.459285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.459285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.459285 (E_RNA) where: Base-Base interactions energy: -1046.493 where: short stacking energy: -483.256 Base-Backbone interact. energy: -3.067 local terms energy: -613.899557 where: bonds (distance) C4'-P energy: -116.264 bonds (distance) P-C4' energy: -151.927 flat angles C4'-P-C4' energy: -148.300 flat angles P-C4'-P energy: -92.561 tors. eta vs tors. theta energy: -104.848 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: 2 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1403.212380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.212380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.212380 (E_RNA) where: Base-Base interactions energy: -865.674 where: short stacking energy: -383.548 Base-Backbone interact. energy: 2.153 local terms energy: -539.690675 where: bonds (distance) C4'-P energy: -125.317 bonds (distance) P-C4' energy: -140.474 flat angles C4'-P-C4' energy: -120.104 flat angles P-C4'-P energy: -98.991 tors. eta vs tors. theta energy: -54.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -705.402143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.402143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.402143 (E_RNA) where: Base-Base interactions energy: -288.131 where: short stacking energy: -177.932 Base-Backbone interact. energy: 1.773 local terms energy: -419.044365 where: bonds (distance) C4'-P energy: -135.224 bonds (distance) P-C4' energy: -128.324 flat angles C4'-P-C4' energy: -108.642 flat angles P-C4'-P energy: -84.548 tors. eta vs tors. theta energy: 37.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -3140.363076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.363076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.363076 (E_RNA) where: Base-Base interactions energy: -2218.665 where: short stacking energy: -886.963 Base-Backbone interact. energy: -9.392 local terms energy: -912.306083 where: bonds (distance) C4'-P energy: -180.168 bonds (distance) P-C4' energy: -174.544 flat angles C4'-P-C4' energy: -179.942 flat angles P-C4'-P energy: -130.361 tors. eta vs tors. theta energy: -247.291 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: 359 Temperature: 0.950000 Total energy: -2830.482839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.482839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.482839 (E_RNA) where: Base-Base interactions energy: -1987.485 where: short stacking energy: -833.144 Base-Backbone interact. energy: -3.367 local terms energy: -839.630226 where: bonds (distance) C4'-P energy: -145.793 bonds (distance) P-C4' energy: -165.982 flat angles C4'-P-C4' energy: -174.863 flat angles P-C4'-P energy: -133.068 tors. eta vs tors. theta energy: -219.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2675.736085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.736085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.736085 (E_RNA) where: Base-Base interactions energy: -1853.770 where: short stacking energy: -776.304 Base-Backbone interact. energy: 1.130 local terms energy: -823.096281 where: bonds (distance) C4'-P energy: -159.223 bonds (distance) P-C4' energy: -178.309 flat angles C4'-P-C4' energy: -164.655 flat angles P-C4'-P energy: -117.295 tors. eta vs tors. theta energy: -203.614 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: 359 Temperature: 1.050000 Total energy: -2648.623068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.623068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.623068 (E_RNA) where: Base-Base interactions energy: -1847.067 where: short stacking energy: -784.727 Base-Backbone interact. energy: -3.766 local terms energy: -797.789804 where: bonds (distance) C4'-P energy: -156.196 bonds (distance) P-C4' energy: -170.331 flat angles C4'-P-C4' energy: -162.636 flat angles P-C4'-P energy: -96.697 tors. eta vs tors. theta energy: -211.931 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: 5, replica: 4 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2383.927866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.927866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.927866 (E_RNA) where: Base-Base interactions energy: -1652.141 where: short stacking energy: -706.211 Base-Backbone interact. energy: -4.537 local terms energy: -727.249184 where: bonds (distance) C4'-P energy: -134.229 bonds (distance) P-C4' energy: -155.857 flat angles C4'-P-C4' energy: -155.080 flat angles P-C4'-P energy: -96.725 tors. eta vs tors. theta energy: -185.357 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: 8 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -2276.582302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.582302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.582302 (E_RNA) where: Base-Base interactions energy: -1573.882 where: short stacking energy: -653.210 Base-Backbone interact. energy: -2.923 local terms energy: -699.777199 where: bonds (distance) C4'-P energy: -141.202 bonds (distance) P-C4' energy: -145.384 flat angles C4'-P-C4' energy: -153.318 flat angles P-C4'-P energy: -91.833 tors. eta vs tors. theta energy: -168.040 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: 359 Temperature: 1.200000 Total energy: -1961.091823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.091823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.091823 (E_RNA) where: Base-Base interactions energy: -1297.614 where: short stacking energy: -541.508 Base-Backbone interact. energy: -2.246 local terms energy: -661.231555 where: bonds (distance) C4'-P energy: -157.273 bonds (distance) P-C4' energy: -151.859 flat angles C4'-P-C4' energy: -131.851 flat angles P-C4'-P energy: -103.561 tors. eta vs tors. theta energy: -116.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1675.471510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.471510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.471510 (E_RNA) where: Base-Base interactions energy: -1092.235 where: short stacking energy: -485.168 Base-Backbone interact. energy: -4.055 local terms energy: -579.181966 where: bonds (distance) C4'-P energy: -116.436 bonds (distance) P-C4' energy: -142.644 flat angles C4'-P-C4' energy: -135.464 flat angles P-C4'-P energy: -69.993 tors. eta vs tors. theta energy: -114.645 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: 2 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -1477.429747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.429747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.429747 (E_RNA) where: Base-Base interactions energy: -933.114 where: short stacking energy: -428.712 Base-Backbone interact. energy: -3.596 local terms energy: -540.719335 where: bonds (distance) C4'-P energy: -117.351 bonds (distance) P-C4' energy: -138.122 flat angles C4'-P-C4' energy: -138.136 flat angles P-C4'-P energy: -84.416 tors. eta vs tors. theta energy: -62.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -657.933933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.933933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.933933 (E_RNA) where: Base-Base interactions energy: -264.310 where: short stacking energy: -197.450 Base-Backbone interact. energy: -2.337 local terms energy: -391.286545 where: bonds (distance) C4'-P energy: -127.496 bonds (distance) P-C4' energy: -154.556 flat angles C4'-P-C4' energy: -82.540 flat angles P-C4'-P energy: -62.589 tors. eta vs tors. theta energy: 35.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -3083.873332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.873332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.873332 (E_RNA) where: Base-Base interactions energy: -2189.326 where: short stacking energy: -859.626 Base-Backbone interact. energy: -6.421 local terms energy: -888.126249 where: bonds (distance) C4'-P energy: -170.336 bonds (distance) P-C4' energy: -162.958 flat angles C4'-P-C4' energy: -170.630 flat angles P-C4'-P energy: -143.302 tors. eta vs tors. theta energy: -240.900 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: 5 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2810.327926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.327926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.327926 (E_RNA) where: Base-Base interactions energy: -1973.568 where: short stacking energy: -822.409 Base-Backbone interact. energy: 0.714 local terms energy: -837.474188 where: bonds (distance) C4'-P energy: -167.793 bonds (distance) P-C4' energy: -162.510 flat angles C4'-P-C4' energy: -173.344 flat angles P-C4'-P energy: -109.394 tors. eta vs tors. theta energy: -224.434 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: 360 Temperature: 1.000000 Total energy: -2700.240457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.240457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.240457 (E_RNA) where: Base-Base interactions energy: -1854.604 where: short stacking energy: -761.657 Base-Backbone interact. energy: -2.465 local terms energy: -843.170666 where: bonds (distance) C4'-P energy: -148.289 bonds (distance) P-C4' energy: -184.421 flat angles C4'-P-C4' energy: -171.513 flat angles P-C4'-P energy: -127.570 tors. eta vs tors. theta energy: -211.377 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: 1 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2629.309702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.309702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.309702 (E_RNA) where: Base-Base interactions energy: -1820.271 where: short stacking energy: -783.397 Base-Backbone interact. energy: -2.055 local terms energy: -806.983895 where: bonds (distance) C4'-P energy: -149.492 bonds (distance) P-C4' energy: -168.754 flat angles C4'-P-C4' energy: -170.725 flat angles P-C4'-P energy: -113.838 tors. eta vs tors. theta energy: -204.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2431.964158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.964158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.964158 (E_RNA) where: Base-Base interactions energy: -1699.182 where: short stacking energy: -709.433 Base-Backbone interact. energy: -1.230 local terms energy: -731.551948 where: bonds (distance) C4'-P energy: -120.399 bonds (distance) P-C4' energy: -147.427 flat angles C4'-P-C4' energy: -179.266 flat angles P-C4'-P energy: -109.757 tors. eta vs tors. theta energy: -174.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -2257.807982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.807982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.807982 (E_RNA) where: Base-Base interactions energy: -1548.479 where: short stacking energy: -681.205 Base-Backbone interact. energy: -1.544 local terms energy: -707.784674 where: bonds (distance) C4'-P energy: -143.563 bonds (distance) P-C4' energy: -142.628 flat angles C4'-P-C4' energy: -155.590 flat angles P-C4'-P energy: -83.069 tors. eta vs tors. theta energy: -182.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1974.183921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.183921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.183921 (E_RNA) where: Base-Base interactions energy: -1310.414 where: short stacking energy: -588.474 Base-Backbone interact. energy: -1.089 local terms energy: -662.680759 where: bonds (distance) C4'-P energy: -138.899 bonds (distance) P-C4' energy: -133.755 flat angles C4'-P-C4' energy: -151.020 flat angles P-C4'-P energy: -99.297 tors. eta vs tors. theta energy: -139.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1657.122359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.122359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.122359 (E_RNA) where: Base-Base interactions energy: -1035.104 where: short stacking energy: -467.965 Base-Backbone interact. energy: -1.422 local terms energy: -620.595842 where: bonds (distance) C4'-P energy: -141.648 bonds (distance) P-C4' energy: -165.593 flat angles C4'-P-C4' energy: -145.451 flat angles P-C4'-P energy: -88.573 tors. eta vs tors. theta energy: -79.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1418.139185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.139185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.139185 (E_RNA) where: Base-Base interactions energy: -854.034 where: short stacking energy: -394.895 Base-Backbone interact. energy: -0.469 local terms energy: -563.636167 where: bonds (distance) C4'-P energy: -122.630 bonds (distance) P-C4' energy: -146.724 flat angles C4'-P-C4' energy: -138.315 flat angles P-C4'-P energy: -89.123 tors. eta vs tors. theta energy: -66.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -625.161448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.161448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.161448 (E_RNA) where: Base-Base interactions energy: -213.311 where: short stacking energy: -176.020 Base-Backbone interact. energy: -0.272 local terms energy: -411.579218 where: bonds (distance) C4'-P energy: -117.886 bonds (distance) P-C4' energy: -139.144 flat angles C4'-P-C4' energy: -95.533 flat angles P-C4'-P energy: -90.349 tors. eta vs tors. theta energy: 31.334 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: 1, replica: 3 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -3122.734234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.734234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.734234 (E_RNA) where: Base-Base interactions energy: -2231.260 where: short stacking energy: -873.451 Base-Backbone interact. energy: 3.060 local terms energy: -894.534722 where: bonds (distance) C4'-P energy: -152.550 bonds (distance) P-C4' energy: -183.247 flat angles C4'-P-C4' energy: -193.314 flat angles P-C4'-P energy: -126.954 tors. eta vs tors. theta energy: -238.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2812.048255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.048255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.048255 (E_RNA) where: Base-Base interactions energy: -1976.307 where: short stacking energy: -809.640 Base-Backbone interact. energy: -2.526 local terms energy: -833.215463 where: bonds (distance) C4'-P energy: -154.993 bonds (distance) P-C4' energy: -157.919 flat angles C4'-P-C4' energy: -186.911 flat angles P-C4'-P energy: -119.608 tors. eta vs tors. theta energy: -213.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2693.320911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.320911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.320911 (E_RNA) where: Base-Base interactions energy: -1886.848 where: short stacking energy: -775.626 Base-Backbone interact. energy: -8.338 local terms energy: -798.134282 where: bonds (distance) C4'-P energy: -150.561 bonds (distance) P-C4' energy: -159.015 flat angles C4'-P-C4' energy: -162.949 flat angles P-C4'-P energy: -117.407 tors. eta vs tors. theta energy: -208.203 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: 1 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2558.972963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.972963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.972963 (E_RNA) where: Base-Base interactions energy: -1794.578 where: short stacking energy: -712.529 Base-Backbone interact. energy: -2.103 local terms energy: -762.291591 where: bonds (distance) C4'-P energy: -136.397 bonds (distance) P-C4' energy: -158.906 flat angles C4'-P-C4' energy: -159.383 flat angles P-C4'-P energy: -112.404 tors. eta vs tors. theta energy: -195.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2422.954560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.954560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.954560 (E_RNA) where: Base-Base interactions energy: -1679.602 where: short stacking energy: -710.397 Base-Backbone interact. energy: -2.434 local terms energy: -740.918962 where: bonds (distance) C4'-P energy: -153.078 bonds (distance) P-C4' energy: -152.773 flat angles C4'-P-C4' energy: -154.713 flat angles P-C4'-P energy: -95.821 tors. eta vs tors. theta energy: -184.535 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: 8 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -2238.135522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.135522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.135522 (E_RNA) where: Base-Base interactions energy: -1514.166 where: short stacking energy: -667.932 Base-Backbone interact. energy: -5.921 local terms energy: -718.048696 where: bonds (distance) C4'-P energy: -136.181 bonds (distance) P-C4' energy: -131.990 flat angles C4'-P-C4' energy: -168.695 flat angles P-C4'-P energy: -105.758 tors. eta vs tors. theta energy: -175.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1968.836505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.836505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.836505 (E_RNA) where: Base-Base interactions energy: -1319.377 where: short stacking energy: -558.077 Base-Backbone interact. energy: 1.940 local terms energy: -651.399954 where: bonds (distance) C4'-P energy: -129.384 bonds (distance) P-C4' energy: -147.865 flat angles C4'-P-C4' energy: -164.413 flat angles P-C4'-P energy: -90.604 tors. eta vs tors. theta energy: -119.133 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: 9 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1660.342435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.342435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.342435 (E_RNA) where: Base-Base interactions energy: -1044.553 where: short stacking energy: -464.454 Base-Backbone interact. energy: -1.993 local terms energy: -613.796976 where: bonds (distance) C4'-P energy: -135.914 bonds (distance) P-C4' energy: -136.377 flat angles C4'-P-C4' energy: -140.637 flat angles P-C4'-P energy: -95.682 tors. eta vs tors. theta energy: -105.187 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: 2 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1422.542830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.542830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.542830 (E_RNA) where: Base-Base interactions energy: -853.838 where: short stacking energy: -408.111 Base-Backbone interact. energy: -1.307 local terms energy: -567.397609 where: bonds (distance) C4'-P energy: -136.268 bonds (distance) P-C4' energy: -135.549 flat angles C4'-P-C4' energy: -124.264 flat angles P-C4'-P energy: -96.029 tors. eta vs tors. theta energy: -75.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -655.001406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.001406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.001406 (E_RNA) where: Base-Base interactions energy: -242.993 where: short stacking energy: -166.747 Base-Backbone interact. energy: 6.596 local terms energy: -418.604783 where: bonds (distance) C4'-P energy: -106.266 bonds (distance) P-C4' energy: -158.860 flat angles C4'-P-C4' energy: -100.995 flat angles P-C4'-P energy: -84.094 tors. eta vs tors. theta energy: 31.610 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: 362 Temperature: 0.900000 Total energy: -3050.392176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.392176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.392176 (E_RNA) where: Base-Base interactions energy: -2185.837 where: short stacking energy: -869.273 Base-Backbone interact. energy: -4.595 local terms energy: -859.960358 where: bonds (distance) C4'-P energy: -145.524 bonds (distance) P-C4' energy: -155.922 flat angles C4'-P-C4' energy: -188.264 flat angles P-C4'-P energy: -137.338 tors. eta vs tors. theta energy: -232.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2854.255074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.255074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.255074 (E_RNA) where: Base-Base interactions energy: -1997.873 where: short stacking energy: -808.185 Base-Backbone interact. energy: -5.647 local terms energy: -850.734767 where: bonds (distance) C4'-P energy: -149.418 bonds (distance) P-C4' energy: -155.188 flat angles C4'-P-C4' energy: -192.484 flat angles P-C4'-P energy: -139.077 tors. eta vs tors. theta energy: -214.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2701.421787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.421787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.421787 (E_RNA) where: Base-Base interactions energy: -1879.866 where: short stacking energy: -789.868 Base-Backbone interact. energy: -2.473 local terms energy: -819.082890 where: bonds (distance) C4'-P energy: -145.195 bonds (distance) P-C4' energy: -165.290 flat angles C4'-P-C4' energy: -174.492 flat angles P-C4'-P energy: -110.951 tors. eta vs tors. theta energy: -223.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2607.866563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.866563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.866563 (E_RNA) where: Base-Base interactions energy: -1821.968 where: short stacking energy: -775.825 Base-Backbone interact. energy: 0.600 local terms energy: -786.499087 where: bonds (distance) C4'-P energy: -121.604 bonds (distance) P-C4' energy: -150.219 flat angles C4'-P-C4' energy: -186.705 flat angles P-C4'-P energy: -114.741 tors. eta vs tors. theta energy: -213.230 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: 5, replica: 4 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2433.618023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.618023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.618023 (E_RNA) where: Base-Base interactions energy: -1666.547 where: short stacking energy: -705.982 Base-Backbone interact. energy: -3.477 local terms energy: -763.594485 where: bonds (distance) C4'-P energy: -139.842 bonds (distance) P-C4' energy: -147.661 flat angles C4'-P-C4' energy: -176.888 flat angles P-C4'-P energy: -111.742 tors. eta vs tors. theta energy: -187.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -2257.661757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.661757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.661757 (E_RNA) where: Base-Base interactions energy: -1514.208 where: short stacking energy: -645.638 Base-Backbone interact. energy: -0.878 local terms energy: -742.574884 where: bonds (distance) C4'-P energy: -130.869 bonds (distance) P-C4' energy: -152.235 flat angles C4'-P-C4' energy: -171.954 flat angles P-C4'-P energy: -101.818 tors. eta vs tors. theta energy: -185.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1964.375591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.375591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.375591 (E_RNA) where: Base-Base interactions energy: -1319.139 where: short stacking energy: -601.219 Base-Backbone interact. energy: -1.282 local terms energy: -643.954529 where: bonds (distance) C4'-P energy: -125.017 bonds (distance) P-C4' energy: -150.374 flat angles C4'-P-C4' energy: -140.530 flat angles P-C4'-P energy: -93.100 tors. eta vs tors. theta energy: -134.933 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: 9 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1674.205270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.205270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.205270 (E_RNA) where: Base-Base interactions energy: -1047.537 where: short stacking energy: -492.435 Base-Backbone interact. energy: 1.759 local terms energy: -628.427439 where: bonds (distance) C4'-P energy: -139.465 bonds (distance) P-C4' energy: -147.361 flat angles C4'-P-C4' energy: -145.819 flat angles P-C4'-P energy: -97.260 tors. eta vs tors. theta energy: -98.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -1397.079882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.079882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.079882 (E_RNA) where: Base-Base interactions energy: -818.073 where: short stacking energy: -384.194 Base-Backbone interact. energy: -0.540 local terms energy: -578.466062 where: bonds (distance) C4'-P energy: -141.857 bonds (distance) P-C4' energy: -148.960 flat angles C4'-P-C4' energy: -148.622 flat angles P-C4'-P energy: -87.845 tors. eta vs tors. theta energy: -51.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -615.975464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.975464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.975464 (E_RNA) where: Base-Base interactions energy: -195.249 where: short stacking energy: -170.262 Base-Backbone interact. energy: -0.431 local terms energy: -420.295990 where: bonds (distance) C4'-P energy: -135.444 bonds (distance) P-C4' energy: -139.523 flat angles C4'-P-C4' energy: -123.267 flat angles P-C4'-P energy: -59.938 tors. eta vs tors. theta energy: 37.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -3054.376231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.376231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.376231 (E_RNA) where: Base-Base interactions energy: -2180.662 where: short stacking energy: -868.328 Base-Backbone interact. energy: 3.311 local terms energy: -877.025622 where: bonds (distance) C4'-P energy: -157.218 bonds (distance) P-C4' energy: -172.971 flat angles C4'-P-C4' energy: -182.960 flat angles P-C4'-P energy: -128.592 tors. eta vs tors. theta energy: -235.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2831.268577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.268577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.268577 (E_RNA) where: Base-Base interactions energy: -2015.374 where: short stacking energy: -836.155 Base-Backbone interact. energy: -7.313 local terms energy: -808.581552 where: bonds (distance) C4'-P energy: -132.012 bonds (distance) P-C4' energy: -158.845 flat angles C4'-P-C4' energy: -178.029 flat angles P-C4'-P energy: -129.677 tors. eta vs tors. theta energy: -210.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2723.781147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.781147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.781147 (E_RNA) where: Base-Base interactions energy: -1872.118 where: short stacking energy: -804.923 Base-Backbone interact. energy: -6.924 local terms energy: -844.739439 where: bonds (distance) C4'-P energy: -154.451 bonds (distance) P-C4' energy: -162.344 flat angles C4'-P-C4' energy: -188.945 flat angles P-C4'-P energy: -124.449 tors. eta vs tors. theta energy: -214.549 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: 4, replica: 1 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2596.472982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.472982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.472982 (E_RNA) where: Base-Base interactions energy: -1794.927 where: short stacking energy: -790.774 Base-Backbone interact. energy: -3.798 local terms energy: -797.748613 where: bonds (distance) C4'-P energy: -145.922 bonds (distance) P-C4' energy: -157.515 flat angles C4'-P-C4' energy: -168.658 flat angles P-C4'-P energy: -117.697 tors. eta vs tors. theta energy: -207.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2406.409862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.409862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.409862 (E_RNA) where: Base-Base interactions energy: -1658.649 where: short stacking energy: -691.915 Base-Backbone interact. energy: -2.434 local terms energy: -745.327073 where: bonds (distance) C4'-P energy: -145.075 bonds (distance) P-C4' energy: -148.577 flat angles C4'-P-C4' energy: -169.977 flat angles P-C4'-P energy: -105.304 tors. eta vs tors. theta energy: -176.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -2250.209185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.209185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.209185 (E_RNA) where: Base-Base interactions energy: -1515.139 where: short stacking energy: -658.467 Base-Backbone interact. energy: -3.363 local terms energy: -731.707475 where: bonds (distance) C4'-P energy: -136.835 bonds (distance) P-C4' energy: -160.716 flat angles C4'-P-C4' energy: -160.759 flat angles P-C4'-P energy: -96.397 tors. eta vs tors. theta energy: -177.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1978.069190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.069190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.069190 (E_RNA) where: Base-Base interactions energy: -1334.225 where: short stacking energy: -549.050 Base-Backbone interact. energy: -2.517 local terms energy: -641.327077 where: bonds (distance) C4'-P energy: -129.803 bonds (distance) P-C4' energy: -146.785 flat angles C4'-P-C4' energy: -150.333 flat angles P-C4'-P energy: -94.232 tors. eta vs tors. theta energy: -120.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1675.783812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.783812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.783812 (E_RNA) where: Base-Base interactions energy: -1072.645 where: short stacking energy: -489.157 Base-Backbone interact. energy: -0.727 local terms energy: -602.411778 where: bonds (distance) C4'-P energy: -144.338 bonds (distance) P-C4' energy: -139.025 flat angles C4'-P-C4' energy: -123.774 flat angles P-C4'-P energy: -92.532 tors. eta vs tors. theta energy: -102.744 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: 2 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -1358.450701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.450701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.450701 (E_RNA) where: Base-Base interactions energy: -833.476 where: short stacking energy: -381.842 Base-Backbone interact. energy: -2.974 local terms energy: -522.000356 where: bonds (distance) C4'-P energy: -138.304 bonds (distance) P-C4' energy: -140.609 flat angles C4'-P-C4' energy: -139.160 flat angles P-C4'-P energy: -72.652 tors. eta vs tors. theta energy: -31.275 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: 10, replica: 10 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -635.917702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.917702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.917702 (E_RNA) where: Base-Base interactions energy: -224.780 where: short stacking energy: -173.383 Base-Backbone interact. energy: -1.284 local terms energy: -409.854472 where: bonds (distance) C4'-P energy: -135.894 bonds (distance) P-C4' energy: -136.213 flat angles C4'-P-C4' energy: -110.951 flat angles P-C4'-P energy: -55.839 tors. eta vs tors. theta energy: 29.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -3072.660506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.660506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.660506 (E_RNA) where: Base-Base interactions energy: -2162.704 where: short stacking energy: -873.926 Base-Backbone interact. energy: -7.966 local terms energy: -901.990272 where: bonds (distance) C4'-P energy: -164.820 bonds (distance) P-C4' energy: -173.038 flat angles C4'-P-C4' energy: -189.473 flat angles P-C4'-P energy: -127.518 tors. eta vs tors. theta energy: -247.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2819.774638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.774638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.774638 (E_RNA) where: Base-Base interactions energy: -1960.070 where: short stacking energy: -808.232 Base-Backbone interact. energy: -1.259 local terms energy: -858.445659 where: bonds (distance) C4'-P energy: -159.917 bonds (distance) P-C4' energy: -171.832 flat angles C4'-P-C4' energy: -177.071 flat angles P-C4'-P energy: -129.844 tors. eta vs tors. theta energy: -219.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2689.457094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.457094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.457094 (E_RNA) where: Base-Base interactions energy: -1865.370 where: short stacking energy: -782.285 Base-Backbone interact. energy: 2.171 local terms energy: -826.257689 where: bonds (distance) C4'-P energy: -145.905 bonds (distance) P-C4' energy: -171.220 flat angles C4'-P-C4' energy: -176.201 flat angles P-C4'-P energy: -115.306 tors. eta vs tors. theta energy: -217.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2608.856563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.856563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.856563 (E_RNA) where: Base-Base interactions energy: -1794.258 where: short stacking energy: -756.655 Base-Backbone interact. energy: -3.003 local terms energy: -811.595437 where: bonds (distance) C4'-P energy: -143.940 bonds (distance) P-C4' energy: -173.694 flat angles C4'-P-C4' energy: -160.901 flat angles P-C4'-P energy: -120.211 tors. eta vs tors. theta energy: -212.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2390.046811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.046811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.046811 (E_RNA) where: Base-Base interactions energy: -1636.461 where: short stacking energy: -707.756 Base-Backbone interact. energy: -1.185 local terms energy: -752.401164 where: bonds (distance) C4'-P energy: -150.658 bonds (distance) P-C4' energy: -142.608 flat angles C4'-P-C4' energy: -175.686 flat angles P-C4'-P energy: -103.751 tors. eta vs tors. theta energy: -179.698 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: 8 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -2256.883403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.883403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.883403 (E_RNA) where: Base-Base interactions energy: -1503.961 where: short stacking energy: -648.506 Base-Backbone interact. energy: -1.650 local terms energy: -751.272913 where: bonds (distance) C4'-P energy: -131.575 bonds (distance) P-C4' energy: -165.731 flat angles C4'-P-C4' energy: -162.504 flat angles P-C4'-P energy: -118.008 tors. eta vs tors. theta energy: -173.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -2021.374522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.374522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.374522 (E_RNA) where: Base-Base interactions energy: -1376.352 where: short stacking energy: -573.226 Base-Backbone interact. energy: -2.029 local terms energy: -642.993286 where: bonds (distance) C4'-P energy: -123.315 bonds (distance) P-C4' energy: -137.955 flat angles C4'-P-C4' energy: -149.209 flat angles P-C4'-P energy: -99.686 tors. eta vs tors. theta energy: -132.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1643.515862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.515862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.515862 (E_RNA) where: Base-Base interactions energy: -1055.886 where: short stacking energy: -470.915 Base-Backbone interact. energy: 1.423 local terms energy: -589.053324 where: bonds (distance) C4'-P energy: -154.063 bonds (distance) P-C4' energy: -130.512 flat angles C4'-P-C4' energy: -128.865 flat angles P-C4'-P energy: -80.742 tors. eta vs tors. theta energy: -94.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1347.191648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.191648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.191648 (E_RNA) where: Base-Base interactions energy: -841.275 where: short stacking energy: -382.862 Base-Backbone interact. energy: -1.176 local terms energy: -504.741121 where: bonds (distance) C4'-P energy: -115.999 bonds (distance) P-C4' energy: -141.610 flat angles C4'-P-C4' energy: -122.143 flat angles P-C4'-P energy: -68.317 tors. eta vs tors. theta energy: -56.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -747.792432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.792432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.792432 (E_RNA) where: Base-Base interactions energy: -334.396 where: short stacking energy: -219.211 Base-Backbone interact. energy: 3.246 local terms energy: -416.642253 where: bonds (distance) C4'-P energy: -112.968 bonds (distance) P-C4' energy: -141.135 flat angles C4'-P-C4' energy: -118.661 flat angles P-C4'-P energy: -45.619 tors. eta vs tors. theta energy: 1.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -3087.913699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.913699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.913699 (E_RNA) where: Base-Base interactions energy: -2192.117 where: short stacking energy: -850.067 Base-Backbone interact. energy: 0.463 local terms energy: -896.259104 where: bonds (distance) C4'-P energy: -169.573 bonds (distance) P-C4' energy: -186.497 flat angles C4'-P-C4' energy: -174.889 flat angles P-C4'-P energy: -128.102 tors. eta vs tors. theta energy: -237.199 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: 365 Temperature: 0.950000 Total energy: -2835.586629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.586629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.586629 (E_RNA) where: Base-Base interactions energy: -2002.837 where: short stacking energy: -834.937 Base-Backbone interact. energy: -5.191 local terms energy: -827.558883 where: bonds (distance) C4'-P energy: -148.929 bonds (distance) P-C4' energy: -165.116 flat angles C4'-P-C4' energy: -184.699 flat angles P-C4'-P energy: -100.312 tors. eta vs tors. theta energy: -228.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2659.920122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.920122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.920122 (E_RNA) where: Base-Base interactions energy: -1851.327 where: short stacking energy: -784.309 Base-Backbone interact. energy: -0.601 local terms energy: -807.992053 where: bonds (distance) C4'-P energy: -156.440 bonds (distance) P-C4' energy: -159.894 flat angles C4'-P-C4' energy: -174.838 flat angles P-C4'-P energy: -110.874 tors. eta vs tors. theta energy: -205.946 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: 1 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2641.894921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.894921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.894921 (E_RNA) where: Base-Base interactions energy: -1840.113 where: short stacking energy: -786.527 Base-Backbone interact. energy: -3.787 local terms energy: -797.994510 where: bonds (distance) C4'-P energy: -160.300 bonds (distance) P-C4' energy: -152.690 flat angles C4'-P-C4' energy: -158.907 flat angles P-C4'-P energy: -108.232 tors. eta vs tors. theta energy: -217.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2405.605945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.605945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.605945 (E_RNA) where: Base-Base interactions energy: -1628.575 where: short stacking energy: -684.170 Base-Backbone interact. energy: -2.898 local terms energy: -774.133188 where: bonds (distance) C4'-P energy: -154.696 bonds (distance) P-C4' energy: -148.470 flat angles C4'-P-C4' energy: -167.138 flat angles P-C4'-P energy: -131.852 tors. eta vs tors. theta energy: -171.978 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: 8 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -2193.878852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.878852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.878852 (E_RNA) where: Base-Base interactions energy: -1457.315 where: short stacking energy: -640.112 Base-Backbone interact. energy: -4.610 local terms energy: -731.953556 where: bonds (distance) C4'-P energy: -149.187 bonds (distance) P-C4' energy: -150.304 flat angles C4'-P-C4' energy: -160.489 flat angles P-C4'-P energy: -98.287 tors. eta vs tors. theta energy: -173.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1984.605386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.605386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.605386 (E_RNA) where: Base-Base interactions energy: -1333.370 where: short stacking energy: -555.988 Base-Backbone interact. energy: 0.861 local terms energy: -652.096846 where: bonds (distance) C4'-P energy: -124.567 bonds (distance) P-C4' energy: -149.451 flat angles C4'-P-C4' energy: -149.046 flat angles P-C4'-P energy: -108.974 tors. eta vs tors. theta energy: -120.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1631.151695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.151695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.151695 (E_RNA) where: Base-Base interactions energy: -1047.766 where: short stacking energy: -467.535 Base-Backbone interact. energy: 6.625 local terms energy: -590.010449 where: bonds (distance) C4'-P energy: -138.676 bonds (distance) P-C4' energy: -141.082 flat angles C4'-P-C4' energy: -145.343 flat angles P-C4'-P energy: -78.545 tors. eta vs tors. theta energy: -86.365 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: 9, replica: 2 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1392.190489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.190489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.190489 (E_RNA) where: Base-Base interactions energy: -850.970 where: short stacking energy: -388.727 Base-Backbone interact. energy: -3.672 local terms energy: -537.548732 where: bonds (distance) C4'-P energy: -137.725 bonds (distance) P-C4' energy: -144.293 flat angles C4'-P-C4' energy: -126.130 flat angles P-C4'-P energy: -82.846 tors. eta vs tors. theta energy: -46.554 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: 10 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -770.826044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.826044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.826044 (E_RNA) where: Base-Base interactions energy: -334.838 where: short stacking energy: -198.655 Base-Backbone interact. energy: 5.990 local terms energy: -441.978635 where: bonds (distance) C4'-P energy: -126.421 bonds (distance) P-C4' energy: -154.980 flat angles C4'-P-C4' energy: -98.692 flat angles P-C4'-P energy: -79.998 tors. eta vs tors. theta energy: 18.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -3058.654559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3058.654559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3058.654559 (E_RNA) where: Base-Base interactions energy: -2164.415 where: short stacking energy: -843.572 Base-Backbone interact. energy: 3.399 local terms energy: -897.638057 where: bonds (distance) C4'-P energy: -146.154 bonds (distance) P-C4' energy: -189.508 flat angles C4'-P-C4' energy: -188.297 flat angles P-C4'-P energy: -134.892 tors. eta vs tors. theta energy: -238.788 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: 366 Temperature: 0.950000 Total energy: -2819.102741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.102741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.102741 (E_RNA) where: Base-Base interactions energy: -1987.816 where: short stacking energy: -825.434 Base-Backbone interact. energy: -0.352 local terms energy: -830.934370 where: bonds (distance) C4'-P energy: -155.103 bonds (distance) P-C4' energy: -162.963 flat angles C4'-P-C4' energy: -182.576 flat angles P-C4'-P energy: -119.461 tors. eta vs tors. theta energy: -210.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2692.044770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.044770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.044770 (E_RNA) where: Base-Base interactions energy: -1891.429 where: short stacking energy: -792.375 Base-Backbone interact. energy: -1.296 local terms energy: -799.319758 where: bonds (distance) C4'-P energy: -142.061 bonds (distance) P-C4' energy: -177.745 flat angles C4'-P-C4' energy: -170.893 flat angles P-C4'-P energy: -106.767 tors. eta vs tors. theta energy: -201.853 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: 1 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2554.371222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.371222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.371222 (E_RNA) where: Base-Base interactions energy: -1781.990 where: short stacking energy: -722.893 Base-Backbone interact. energy: -2.097 local terms energy: -770.284105 where: bonds (distance) C4'-P energy: -146.276 bonds (distance) P-C4' energy: -165.785 flat angles C4'-P-C4' energy: -161.521 flat angles P-C4'-P energy: -105.267 tors. eta vs tors. theta energy: -191.434 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: 5, replica: 4 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2395.293998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.293998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.293998 (E_RNA) where: Base-Base interactions energy: -1663.975 where: short stacking energy: -700.757 Base-Backbone interact. energy: -1.335 local terms energy: -729.983933 where: bonds (distance) C4'-P energy: -119.733 bonds (distance) P-C4' energy: -157.824 flat angles C4'-P-C4' energy: -160.743 flat angles P-C4'-P energy: -105.711 tors. eta vs tors. theta energy: -185.974 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: 8 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -2248.728592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.728592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.728592 (E_RNA) where: Base-Base interactions energy: -1499.186 where: short stacking energy: -634.581 Base-Backbone interact. energy: -2.152 local terms energy: -747.390858 where: bonds (distance) C4'-P energy: -130.840 bonds (distance) P-C4' energy: -176.806 flat angles C4'-P-C4' energy: -168.674 flat angles P-C4'-P energy: -96.637 tors. eta vs tors. theta energy: -174.433 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: 366 Temperature: 1.200000 Total energy: -2036.425911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.425911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.425911 (E_RNA) where: Base-Base interactions energy: -1361.536 where: short stacking energy: -610.169 Base-Backbone interact. energy: 3.259 local terms energy: -678.148196 where: bonds (distance) C4'-P energy: -140.909 bonds (distance) P-C4' energy: -149.299 flat angles C4'-P-C4' energy: -143.632 flat angles P-C4'-P energy: -92.055 tors. eta vs tors. theta energy: -152.254 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: 8, replica: 9 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1579.515698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.515698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.515698 (E_RNA) where: Base-Base interactions energy: -987.336 where: short stacking energy: -425.440 Base-Backbone interact. energy: -0.250 local terms energy: -591.929980 where: bonds (distance) C4'-P energy: -134.177 bonds (distance) P-C4' energy: -154.079 flat angles C4'-P-C4' energy: -135.984 flat angles P-C4'-P energy: -84.538 tors. eta vs tors. theta energy: -83.152 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: 2 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -1451.643382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.643382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.643382 (E_RNA) where: Base-Base interactions energy: -922.668 where: short stacking energy: -425.720 Base-Backbone interact. energy: 1.440 local terms energy: -530.415341 where: bonds (distance) C4'-P energy: -127.375 bonds (distance) P-C4' energy: -131.140 flat angles C4'-P-C4' energy: -105.389 flat angles P-C4'-P energy: -83.592 tors. eta vs tors. theta energy: -82.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -685.615629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.615629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.615629 (E_RNA) where: Base-Base interactions energy: -304.865 where: short stacking energy: -194.841 Base-Backbone interact. energy: 1.975 local terms energy: -382.725039 where: bonds (distance) C4'-P energy: -101.257 bonds (distance) P-C4' energy: -143.474 flat angles C4'-P-C4' energy: -104.410 flat angles P-C4'-P energy: -67.920 tors. eta vs tors. theta energy: 34.334 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: 1, replica: 3 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -3068.458627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.458627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.458627 (E_RNA) where: Base-Base interactions energy: -2171.731 where: short stacking energy: -868.349 Base-Backbone interact. energy: -2.099 local terms energy: -894.628098 where: bonds (distance) C4'-P energy: -162.748 bonds (distance) P-C4' energy: -164.520 flat angles C4'-P-C4' energy: -183.007 flat angles P-C4'-P energy: -143.547 tors. eta vs tors. theta energy: -240.806 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: 2, replica: 5 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2817.762381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.762381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.762381 (E_RNA) where: Base-Base interactions energy: -1972.269 where: short stacking energy: -834.859 Base-Backbone interact. energy: -5.263 local terms energy: -840.230505 where: bonds (distance) C4'-P energy: -141.201 bonds (distance) P-C4' energy: -155.530 flat angles C4'-P-C4' energy: -197.675 flat angles P-C4'-P energy: -116.363 tors. eta vs tors. theta energy: -229.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2695.699802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.699802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.699802 (E_RNA) where: Base-Base interactions energy: -1866.442 where: short stacking energy: -767.209 Base-Backbone interact. energy: -2.095 local terms energy: -827.162482 where: bonds (distance) C4'-P energy: -142.496 bonds (distance) P-C4' energy: -180.192 flat angles C4'-P-C4' energy: -169.786 flat angles P-C4'-P energy: -122.276 tors. eta vs tors. theta energy: -212.413 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: 367 Temperature: 1.050000 Total energy: -2610.718268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.718268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.718268 (E_RNA) where: Base-Base interactions energy: -1825.362 where: short stacking energy: -778.578 Base-Backbone interact. energy: -1.965 local terms energy: -783.391584 where: bonds (distance) C4'-P energy: -119.570 bonds (distance) P-C4' energy: -175.895 flat angles C4'-P-C4' energy: -168.759 flat angles P-C4'-P energy: -115.673 tors. eta vs tors. theta energy: -203.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2398.758348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.758348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.758348 (E_RNA) where: Base-Base interactions energy: -1670.705 where: short stacking energy: -695.184 Base-Backbone interact. energy: -4.399 local terms energy: -723.654556 where: bonds (distance) C4'-P energy: -143.855 bonds (distance) P-C4' energy: -154.401 flat angles C4'-P-C4' energy: -160.026 flat angles P-C4'-P energy: -98.005 tors. eta vs tors. theta energy: -167.367 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: 8 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -2265.111226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.111226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.111226 (E_RNA) where: Base-Base interactions energy: -1572.099 where: short stacking energy: -676.058 Base-Backbone interact. energy: -2.399 local terms energy: -690.612599 where: bonds (distance) C4'-P energy: -132.781 bonds (distance) P-C4' energy: -149.230 flat angles C4'-P-C4' energy: -154.496 flat angles P-C4'-P energy: -89.225 tors. eta vs tors. theta energy: -164.880 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: 6 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -2026.183354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.183354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.183354 (E_RNA) where: Base-Base interactions energy: -1364.765 where: short stacking energy: -593.648 Base-Backbone interact. energy: -3.623 local terms energy: -657.795796 where: bonds (distance) C4'-P energy: -128.460 bonds (distance) P-C4' energy: -156.235 flat angles C4'-P-C4' energy: -142.602 flat angles P-C4'-P energy: -96.903 tors. eta vs tors. theta energy: -133.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1596.249784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.249784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.249784 (E_RNA) where: Base-Base interactions energy: -1022.277 where: short stacking energy: -452.468 Base-Backbone interact. energy: 5.955 local terms energy: -579.927863 where: bonds (distance) C4'-P energy: -130.543 bonds (distance) P-C4' energy: -133.697 flat angles C4'-P-C4' energy: -141.604 flat angles P-C4'-P energy: -96.622 tors. eta vs tors. theta energy: -77.461 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: 9, replica: 2 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1333.518929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.518929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.518929 (E_RNA) where: Base-Base interactions energy: -823.957 where: short stacking energy: -396.441 Base-Backbone interact. energy: 1.273 local terms energy: -510.835486 where: bonds (distance) C4'-P energy: -102.077 bonds (distance) P-C4' energy: -149.792 flat angles C4'-P-C4' energy: -142.353 flat angles P-C4'-P energy: -58.612 tors. eta vs tors. theta energy: -58.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -704.939080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.939080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.939080 (E_RNA) where: Base-Base interactions energy: -292.874 where: short stacking energy: -226.820 Base-Backbone interact. energy: 1.195 local terms energy: -413.259727 where: bonds (distance) C4'-P energy: -121.164 bonds (distance) P-C4' energy: -139.689 flat angles C4'-P-C4' energy: -120.953 flat angles P-C4'-P energy: -61.100 tors. eta vs tors. theta energy: 29.645 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: 3 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -3074.204820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.204820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.204820 (E_RNA) where: Base-Base interactions energy: -2207.354 where: short stacking energy: -897.943 Base-Backbone interact. energy: -4.193 local terms energy: -862.657408 where: bonds (distance) C4'-P energy: -163.168 bonds (distance) P-C4' energy: -161.478 flat angles C4'-P-C4' energy: -163.439 flat angles P-C4'-P energy: -125.826 tors. eta vs tors. theta energy: -248.746 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: 368 Temperature: 0.950000 Total energy: -2816.030411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.030411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.030411 (E_RNA) where: Base-Base interactions energy: -1959.136 where: short stacking energy: -828.957 Base-Backbone interact. energy: -0.630 local terms energy: -856.263650 where: bonds (distance) C4'-P energy: -162.887 bonds (distance) P-C4' energy: -172.981 flat angles C4'-P-C4' energy: -169.966 flat angles P-C4'-P energy: -127.181 tors. eta vs tors. theta energy: -223.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2690.870957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.870957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.870957 (E_RNA) where: Base-Base interactions energy: -1889.070 where: short stacking energy: -781.899 Base-Backbone interact. energy: -5.264 local terms energy: -796.537034 where: bonds (distance) C4'-P energy: -153.860 bonds (distance) P-C4' energy: -145.450 flat angles C4'-P-C4' energy: -172.827 flat angles P-C4'-P energy: -119.397 tors. eta vs tors. theta energy: -205.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2592.243595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.243595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.243595 (E_RNA) where: Base-Base interactions energy: -1791.714 where: short stacking energy: -731.459 Base-Backbone interact. energy: 0.748 local terms energy: -801.277607 where: bonds (distance) C4'-P energy: -149.043 bonds (distance) P-C4' energy: -160.511 flat angles C4'-P-C4' energy: -179.815 flat angles P-C4'-P energy: -110.928 tors. eta vs tors. theta energy: -200.982 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: 5, replica: 4 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2395.088103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.088103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.088103 (E_RNA) where: Base-Base interactions energy: -1636.560 where: short stacking energy: -684.854 Base-Backbone interact. energy: -3.165 local terms energy: -755.363557 where: bonds (distance) C4'-P energy: -161.699 bonds (distance) P-C4' energy: -160.080 flat angles C4'-P-C4' energy: -158.561 flat angles P-C4'-P energy: -92.671 tors. eta vs tors. theta energy: -182.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -2328.457898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.457898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.457898 (E_RNA) where: Base-Base interactions energy: -1584.804 where: short stacking energy: -657.066 Base-Backbone interact. energy: -3.199 local terms energy: -740.454291 where: bonds (distance) C4'-P energy: -160.974 bonds (distance) P-C4' energy: -139.036 flat angles C4'-P-C4' energy: -167.680 flat angles P-C4'-P energy: -104.595 tors. eta vs tors. theta energy: -168.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1975.801725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.801725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.801725 (E_RNA) where: Base-Base interactions energy: -1309.688 where: short stacking energy: -564.955 Base-Backbone interact. energy: -2.059 local terms energy: -664.055128 where: bonds (distance) C4'-P energy: -144.548 bonds (distance) P-C4' energy: -134.972 flat angles C4'-P-C4' energy: -151.269 flat angles P-C4'-P energy: -105.743 tors. eta vs tors. theta energy: -127.524 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: 9 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1552.365578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.365578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.365578 (E_RNA) where: Base-Base interactions energy: -980.240 where: short stacking energy: -449.739 Base-Backbone interact. energy: 1.111 local terms energy: -573.236203 where: bonds (distance) C4'-P energy: -129.328 bonds (distance) P-C4' energy: -147.765 flat angles C4'-P-C4' energy: -125.199 flat angles P-C4'-P energy: -93.145 tors. eta vs tors. theta energy: -77.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1380.056594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.056594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.056594 (E_RNA) where: Base-Base interactions energy: -836.942 where: short stacking energy: -399.763 Base-Backbone interact. energy: 7.088 local terms energy: -550.202506 where: bonds (distance) C4'-P energy: -129.783 bonds (distance) P-C4' energy: -157.706 flat angles C4'-P-C4' energy: -134.292 flat angles P-C4'-P energy: -72.999 tors. eta vs tors. theta energy: -55.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -682.967820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.967820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.967820 (E_RNA) where: Base-Base interactions energy: -285.343 where: short stacking energy: -228.967 Base-Backbone interact. energy: 7.640 local terms energy: -405.264621 where: bonds (distance) C4'-P energy: -136.470 bonds (distance) P-C4' energy: -141.537 flat angles C4'-P-C4' energy: -81.541 flat angles P-C4'-P energy: -53.819 tors. eta vs tors. theta energy: 8.102 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: 3 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -3046.563909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.563909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.563909 (E_RNA) where: Base-Base interactions energy: -2179.053 where: short stacking energy: -857.494 Base-Backbone interact. energy: -5.935 local terms energy: -861.575997 where: bonds (distance) C4'-P energy: -159.720 bonds (distance) P-C4' energy: -152.713 flat angles C4'-P-C4' energy: -189.490 flat angles P-C4'-P energy: -126.218 tors. eta vs tors. theta energy: -233.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2825.366687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.366687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.366687 (E_RNA) where: Base-Base interactions energy: -1965.827 where: short stacking energy: -834.471 Base-Backbone interact. energy: -3.459 local terms energy: -856.080436 where: bonds (distance) C4'-P energy: -152.066 bonds (distance) P-C4' energy: -171.311 flat angles C4'-P-C4' energy: -179.565 flat angles P-C4'-P energy: -121.807 tors. eta vs tors. theta energy: -231.331 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: 369 Temperature: 1.000000 Total energy: -2703.308439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.308439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.308439 (E_RNA) where: Base-Base interactions energy: -1872.944 where: short stacking energy: -808.218 Base-Backbone interact. energy: -2.623 local terms energy: -827.741924 where: bonds (distance) C4'-P energy: -151.008 bonds (distance) P-C4' energy: -168.846 flat angles C4'-P-C4' energy: -185.727 flat angles P-C4'-P energy: -105.239 tors. eta vs tors. theta energy: -216.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2590.784748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.784748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.784748 (E_RNA) where: Base-Base interactions energy: -1786.959 where: short stacking energy: -750.690 Base-Backbone interact. energy: -3.924 local terms energy: -799.901019 where: bonds (distance) C4'-P energy: -148.453 bonds (distance) P-C4' energy: -162.712 flat angles C4'-P-C4' energy: -169.909 flat angles P-C4'-P energy: -111.846 tors. eta vs tors. theta energy: -206.980 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: 5, replica: 4 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2408.404396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.404396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.404396 (E_RNA) where: Base-Base interactions energy: -1653.459 where: short stacking energy: -688.724 Base-Backbone interact. energy: -1.667 local terms energy: -753.278566 where: bonds (distance) C4'-P energy: -149.951 bonds (distance) P-C4' energy: -158.111 flat angles C4'-P-C4' energy: -171.361 flat angles P-C4'-P energy: -101.308 tors. eta vs tors. theta energy: -172.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -2371.549715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.549715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.549715 (E_RNA) where: Base-Base interactions energy: -1609.132 where: short stacking energy: -703.162 Base-Backbone interact. energy: 2.149 local terms energy: -764.567180 where: bonds (distance) C4'-P energy: -153.337 bonds (distance) P-C4' energy: -159.202 flat angles C4'-P-C4' energy: -176.737 flat angles P-C4'-P energy: -91.686 tors. eta vs tors. theta energy: -183.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1980.364769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.364769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.364769 (E_RNA) where: Base-Base interactions energy: -1304.733 where: short stacking energy: -558.152 Base-Backbone interact. energy: -2.709 local terms energy: -672.922692 where: bonds (distance) C4'-P energy: -132.427 bonds (distance) P-C4' energy: -160.784 flat angles C4'-P-C4' energy: -157.532 flat angles P-C4'-P energy: -90.239 tors. eta vs tors. theta energy: -131.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1556.089302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.089302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.089302 (E_RNA) where: Base-Base interactions energy: -983.927 where: short stacking energy: -479.245 Base-Backbone interact. energy: -3.686 local terms energy: -568.476217 where: bonds (distance) C4'-P energy: -135.759 bonds (distance) P-C4' energy: -114.211 flat angles C4'-P-C4' energy: -136.823 flat angles P-C4'-P energy: -94.184 tors. eta vs tors. theta energy: -87.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1414.530966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.530966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.530966 (E_RNA) where: Base-Base interactions energy: -884.758 where: short stacking energy: -422.956 Base-Backbone interact. energy: 3.124 local terms energy: -532.896448 where: bonds (distance) C4'-P energy: -115.636 bonds (distance) P-C4' energy: -135.519 flat angles C4'-P-C4' energy: -122.274 flat angles P-C4'-P energy: -85.988 tors. eta vs tors. theta energy: -73.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -683.385706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.385706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.385706 (E_RNA) where: Base-Base interactions energy: -288.082 where: short stacking energy: -207.179 Base-Backbone interact. energy: 4.066 local terms energy: -399.370163 where: bonds (distance) C4'-P energy: -103.576 bonds (distance) P-C4' energy: -156.977 flat angles C4'-P-C4' energy: -117.463 flat angles P-C4'-P energy: -52.939 tors. eta vs tors. theta energy: 31.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -3067.337430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.337430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.337430 (E_RNA) where: Base-Base interactions energy: -2132.013 where: short stacking energy: -866.080 Base-Backbone interact. energy: -0.620 local terms energy: -934.704164 where: bonds (distance) C4'-P energy: -158.746 bonds (distance) P-C4' energy: -182.143 flat angles C4'-P-C4' energy: -198.446 flat angles P-C4'-P energy: -144.001 tors. eta vs tors. theta energy: -251.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2831.822681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.822681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.822681 (E_RNA) where: Base-Base interactions energy: -1946.409 where: short stacking energy: -816.858 Base-Backbone interact. energy: -2.418 local terms energy: -882.995450 where: bonds (distance) C4'-P energy: -153.631 bonds (distance) P-C4' energy: -187.201 flat angles C4'-P-C4' energy: -194.904 flat angles P-C4'-P energy: -118.145 tors. eta vs tors. theta energy: -229.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2713.267274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.267274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.267274 (E_RNA) where: Base-Base interactions energy: -1874.506 where: short stacking energy: -796.811 Base-Backbone interact. energy: -6.393 local terms energy: -832.368647 where: bonds (distance) C4'-P energy: -155.211 bonds (distance) P-C4' energy: -166.649 flat angles C4'-P-C4' energy: -166.347 flat angles P-C4'-P energy: -108.222 tors. eta vs tors. theta energy: -235.940 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: 4, replica: 1 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2584.931952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.931952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.931952 (E_RNA) where: Base-Base interactions energy: -1806.985 where: short stacking energy: -706.047 Base-Backbone interact. energy: -0.394 local terms energy: -777.553406 where: bonds (distance) C4'-P energy: -142.260 bonds (distance) P-C4' energy: -168.441 flat angles C4'-P-C4' energy: -174.910 flat angles P-C4'-P energy: -97.785 tors. eta vs tors. theta energy: -194.157 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: 5, replica: 4 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2392.340792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.340792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.340792 (E_RNA) where: Base-Base interactions energy: -1660.402 where: short stacking energy: -714.442 Base-Backbone interact. energy: -1.415 local terms energy: -730.523747 where: bonds (distance) C4'-P energy: -116.477 bonds (distance) P-C4' energy: -155.381 flat angles C4'-P-C4' energy: -164.281 flat angles P-C4'-P energy: -110.368 tors. eta vs tors. theta energy: -184.017 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: 8 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -2294.388951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.388951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.388951 (E_RNA) where: Base-Base interactions energy: -1595.730 where: short stacking energy: -677.090 Base-Backbone interact. energy: -2.446 local terms energy: -696.212866 where: bonds (distance) C4'-P energy: -123.353 bonds (distance) P-C4' energy: -142.093 flat angles C4'-P-C4' energy: -155.455 flat angles P-C4'-P energy: -98.191 tors. eta vs tors. theta energy: -177.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1989.432084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.432084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.432084 (E_RNA) where: Base-Base interactions energy: -1323.094 where: short stacking energy: -585.794 Base-Backbone interact. energy: -0.263 local terms energy: -666.075295 where: bonds (distance) C4'-P energy: -145.475 bonds (distance) P-C4' energy: -153.282 flat angles C4'-P-C4' energy: -141.181 flat angles P-C4'-P energy: -88.307 tors. eta vs tors. theta energy: -137.830 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: 9 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1569.371711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.371711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.371711 (E_RNA) where: Base-Base interactions energy: -984.855 where: short stacking energy: -441.528 Base-Backbone interact. energy: 8.894 local terms energy: -593.410485 where: bonds (distance) C4'-P energy: -141.280 bonds (distance) P-C4' energy: -163.322 flat angles C4'-P-C4' energy: -127.619 flat angles P-C4'-P energy: -83.496 tors. eta vs tors. theta energy: -77.694 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: 2 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1333.386334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.386334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.386334 (E_RNA) where: Base-Base interactions energy: -839.097 where: short stacking energy: -395.793 Base-Backbone interact. energy: 2.487 local terms energy: -496.776840 where: bonds (distance) C4'-P energy: -130.006 bonds (distance) P-C4' energy: -132.873 flat angles C4'-P-C4' energy: -120.221 flat angles P-C4'-P energy: -75.055 tors. eta vs tors. theta energy: -38.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -638.186313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.186313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.186313 (E_RNA) where: Base-Base interactions energy: -202.213 where: short stacking energy: -143.972 Base-Backbone interact. energy: -2.274 local terms energy: -433.698743 where: bonds (distance) C4'-P energy: -134.127 bonds (distance) P-C4' energy: -157.192 flat angles C4'-P-C4' energy: -96.946 flat angles P-C4'-P energy: -75.503 tors. eta vs tors. theta energy: 30.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -3043.792269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.792269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.792269 (E_RNA) where: Base-Base interactions energy: -2155.868 where: short stacking energy: -846.194 Base-Backbone interact. energy: -9.143 local terms energy: -878.780675 where: bonds (distance) C4'-P energy: -156.098 bonds (distance) P-C4' energy: -164.528 flat angles C4'-P-C4' energy: -189.950 flat angles P-C4'-P energy: -134.322 tors. eta vs tors. theta energy: -233.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2820.355293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.355293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.355293 (E_RNA) where: Base-Base interactions energy: -1948.880 where: short stacking energy: -815.173 Base-Backbone interact. energy: -1.189 local terms energy: -870.285958 where: bonds (distance) C4'-P energy: -168.892 bonds (distance) P-C4' energy: -170.535 flat angles C4'-P-C4' energy: -186.980 flat angles P-C4'-P energy: -113.525 tors. eta vs tors. theta energy: -230.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2719.371231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.371231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.371231 (E_RNA) where: Base-Base interactions energy: -1858.959 where: short stacking energy: -792.449 Base-Backbone interact. energy: -3.931 local terms energy: -856.481916 where: bonds (distance) C4'-P energy: -157.213 bonds (distance) P-C4' energy: -157.690 flat angles C4'-P-C4' energy: -182.738 flat angles P-C4'-P energy: -126.888 tors. eta vs tors. theta energy: -231.953 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: 4 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2463.318448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.318448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.318448 (E_RNA) where: Base-Base interactions energy: -1671.543 where: short stacking energy: -722.926 Base-Backbone interact. energy: -1.702 local terms energy: -790.073118 where: bonds (distance) C4'-P energy: -147.829 bonds (distance) P-C4' energy: -171.333 flat angles C4'-P-C4' energy: -173.633 flat angles P-C4'-P energy: -110.743 tors. eta vs tors. theta energy: -186.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2501.197341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.197341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.197341 (E_RNA) where: Base-Base interactions energy: -1766.879 where: short stacking energy: -720.902 Base-Backbone interact. energy: -0.771 local terms energy: -733.547293 where: bonds (distance) C4'-P energy: -138.968 bonds (distance) P-C4' energy: -152.665 flat angles C4'-P-C4' energy: -158.621 flat angles P-C4'-P energy: -100.231 tors. eta vs tors. theta energy: -183.062 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: 8 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -2269.797517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.797517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.797517 (E_RNA) where: Base-Base interactions energy: -1575.595 where: short stacking energy: -628.691 Base-Backbone interact. energy: -2.872 local terms energy: -691.331349 where: bonds (distance) C4'-P energy: -128.717 bonds (distance) P-C4' energy: -138.978 flat angles C4'-P-C4' energy: -159.666 flat angles P-C4'-P energy: -97.966 tors. eta vs tors. theta energy: -166.004 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: 6 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1935.687097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.687097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.687097 (E_RNA) where: Base-Base interactions energy: -1279.193 where: short stacking energy: -572.110 Base-Backbone interact. energy: 1.823 local terms energy: -658.317809 where: bonds (distance) C4'-P energy: -137.751 bonds (distance) P-C4' energy: -141.460 flat angles C4'-P-C4' energy: -162.185 flat angles P-C4'-P energy: -86.896 tors. eta vs tors. theta energy: -130.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1576.259502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.259502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.259502 (E_RNA) where: Base-Base interactions energy: -994.360 where: short stacking energy: -449.308 Base-Backbone interact. energy: -2.118 local terms energy: -579.781243 where: bonds (distance) C4'-P energy: -144.307 bonds (distance) P-C4' energy: -133.377 flat angles C4'-P-C4' energy: -141.243 flat angles P-C4'-P energy: -82.640 tors. eta vs tors. theta energy: -78.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1266.730431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.730431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.730431 (E_RNA) where: Base-Base interactions energy: -771.144 where: short stacking energy: -372.759 Base-Backbone interact. energy: -0.223 local terms energy: -495.363685 where: bonds (distance) C4'-P energy: -119.421 bonds (distance) P-C4' energy: -140.460 flat angles C4'-P-C4' energy: -114.638 flat angles P-C4'-P energy: -82.519 tors. eta vs tors. theta energy: -38.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -644.819539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.819539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.819539 (E_RNA) where: Base-Base interactions energy: -219.371 where: short stacking energy: -150.780 Base-Backbone interact. energy: -4.068 local terms energy: -421.381317 where: bonds (distance) C4'-P energy: -136.728 bonds (distance) P-C4' energy: -141.440 flat angles C4'-P-C4' energy: -98.476 flat angles P-C4'-P energy: -88.544 tors. eta vs tors. theta energy: 43.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -3058.041991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3058.041991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3058.041991 (E_RNA) where: Base-Base interactions energy: -2148.116 where: short stacking energy: -875.018 Base-Backbone interact. energy: -4.451 local terms energy: -905.475405 where: bonds (distance) C4'-P energy: -181.717 bonds (distance) P-C4' energy: -171.218 flat angles C4'-P-C4' energy: -178.834 flat angles P-C4'-P energy: -134.461 tors. eta vs tors. theta energy: -239.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2840.832935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.832935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.832935 (E_RNA) where: Base-Base interactions energy: -1983.163 where: short stacking energy: -824.395 Base-Backbone interact. energy: -3.163 local terms energy: -854.506440 where: bonds (distance) C4'-P energy: -156.203 bonds (distance) P-C4' energy: -178.288 flat angles C4'-P-C4' energy: -168.523 flat angles P-C4'-P energy: -121.843 tors. eta vs tors. theta energy: -229.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2724.870364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.870364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.870364 (E_RNA) where: Base-Base interactions energy: -1900.088 where: short stacking energy: -808.208 Base-Backbone interact. energy: -4.850 local terms energy: -819.931987 where: bonds (distance) C4'-P energy: -146.244 bonds (distance) P-C4' energy: -157.072 flat angles C4'-P-C4' energy: -169.553 flat angles P-C4'-P energy: -113.767 tors. eta vs tors. theta energy: -233.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2497.096180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.096180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.096180 (E_RNA) where: Base-Base interactions energy: -1738.537 where: short stacking energy: -709.432 Base-Backbone interact. energy: -5.238 local terms energy: -753.321035 where: bonds (distance) C4'-P energy: -138.951 bonds (distance) P-C4' energy: -172.729 flat angles C4'-P-C4' energy: -174.102 flat angles P-C4'-P energy: -90.683 tors. eta vs tors. theta energy: -176.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2504.504735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.504735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.504735 (E_RNA) where: Base-Base interactions energy: -1725.982 where: short stacking energy: -722.148 Base-Backbone interact. energy: -1.700 local terms energy: -776.822034 where: bonds (distance) C4'-P energy: -159.852 bonds (distance) P-C4' energy: -157.299 flat angles C4'-P-C4' energy: -171.049 flat angles P-C4'-P energy: -99.310 tors. eta vs tors. theta energy: -189.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -2284.135969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.135969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.135969 (E_RNA) where: Base-Base interactions energy: -1590.141 where: short stacking energy: -671.927 Base-Backbone interact. energy: -0.018 local terms energy: -693.976380 where: bonds (distance) C4'-P energy: -140.864 bonds (distance) P-C4' energy: -154.774 flat angles C4'-P-C4' energy: -134.414 flat angles P-C4'-P energy: -95.491 tors. eta vs tors. theta energy: -168.433 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: 372 Temperature: 1.200000 Total energy: -1922.846535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.846535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.846535 (E_RNA) where: Base-Base interactions energy: -1296.571 where: short stacking energy: -595.870 Base-Backbone interact. energy: 0.262 local terms energy: -626.537664 where: bonds (distance) C4'-P energy: -115.983 bonds (distance) P-C4' energy: -152.783 flat angles C4'-P-C4' energy: -141.993 flat angles P-C4'-P energy: -76.406 tors. eta vs tors. theta energy: -139.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1730.104978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.104978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.104978 (E_RNA) where: Base-Base interactions energy: -1126.386 where: short stacking energy: -500.219 Base-Backbone interact. energy: 3.062 local terms energy: -606.780656 where: bonds (distance) C4'-P energy: -113.693 bonds (distance) P-C4' energy: -161.188 flat angles C4'-P-C4' energy: -129.317 flat angles P-C4'-P energy: -99.885 tors. eta vs tors. theta energy: -102.697 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: 2 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1243.225224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.225224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.225224 (E_RNA) where: Base-Base interactions energy: -732.164 where: short stacking energy: -346.915 Base-Backbone interact. energy: 0.580 local terms energy: -511.642027 where: bonds (distance) C4'-P energy: -138.723 bonds (distance) P-C4' energy: -123.411 flat angles C4'-P-C4' energy: -140.067 flat angles P-C4'-P energy: -73.513 tors. eta vs tors. theta energy: -35.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -643.533632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.533632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.533632 (E_RNA) where: Base-Base interactions energy: -233.179 where: short stacking energy: -168.206 Base-Backbone interact. energy: -2.087 local terms energy: -408.267175 where: bonds (distance) C4'-P energy: -142.043 bonds (distance) P-C4' energy: -137.721 flat angles C4'-P-C4' energy: -107.728 flat angles P-C4'-P energy: -56.001 tors. eta vs tors. theta energy: 35.225 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: 3 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -3051.481307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.481307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.481307 (E_RNA) where: Base-Base interactions energy: -2160.927 where: short stacking energy: -842.750 Base-Backbone interact. energy: -4.433 local terms energy: -886.120794 where: bonds (distance) C4'-P energy: -159.258 bonds (distance) P-C4' energy: -166.434 flat angles C4'-P-C4' energy: -176.031 flat angles P-C4'-P energy: -138.066 tors. eta vs tors. theta energy: -246.331 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: 5 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2837.310623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.310623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.310623 (E_RNA) where: Base-Base interactions energy: -1961.510 where: short stacking energy: -811.788 Base-Backbone interact. energy: -3.257 local terms energy: -872.543946 where: bonds (distance) C4'-P energy: -152.736 bonds (distance) P-C4' energy: -180.289 flat angles C4'-P-C4' energy: -188.625 flat angles P-C4'-P energy: -129.767 tors. eta vs tors. theta energy: -221.127 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: 373 Temperature: 1.000000 Total energy: -2731.221779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.221779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.221779 (E_RNA) where: Base-Base interactions energy: -1904.634 where: short stacking energy: -779.109 Base-Backbone interact. energy: -5.379 local terms energy: -821.208008 where: bonds (distance) C4'-P energy: -141.276 bonds (distance) P-C4' energy: -159.883 flat angles C4'-P-C4' energy: -186.831 flat angles P-C4'-P energy: -115.237 tors. eta vs tors. theta energy: -217.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2600.474746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.474746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.474746 (E_RNA) where: Base-Base interactions energy: -1803.789 where: short stacking energy: -753.211 Base-Backbone interact. energy: -4.009 local terms energy: -792.677705 where: bonds (distance) C4'-P energy: -159.769 bonds (distance) P-C4' energy: -151.141 flat angles C4'-P-C4' energy: -167.801 flat angles P-C4'-P energy: -108.346 tors. eta vs tors. theta energy: -205.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2442.407600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.407600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.407600 (E_RNA) where: Base-Base interactions energy: -1705.267 where: short stacking energy: -719.845 Base-Backbone interact. energy: -2.127 local terms energy: -735.012816 where: bonds (distance) C4'-P energy: -147.947 bonds (distance) P-C4' energy: -157.029 flat angles C4'-P-C4' energy: -157.347 flat angles P-C4'-P energy: -102.922 tors. eta vs tors. theta energy: -169.769 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: 8 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -2245.491133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.491133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.491133 (E_RNA) where: Base-Base interactions energy: -1568.674 where: short stacking energy: -653.256 Base-Backbone interact. energy: -3.530 local terms energy: -673.286911 where: bonds (distance) C4'-P energy: -120.228 bonds (distance) P-C4' energy: -155.986 flat angles C4'-P-C4' energy: -143.847 flat angles P-C4'-P energy: -73.622 tors. eta vs tors. theta energy: -179.603 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: 373 Temperature: 1.200000 Total energy: -1988.776819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.776819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.776819 (E_RNA) where: Base-Base interactions energy: -1333.147 where: short stacking energy: -588.816 Base-Backbone interact. energy: -2.786 local terms energy: -652.844214 where: bonds (distance) C4'-P energy: -137.026 bonds (distance) P-C4' energy: -151.666 flat angles C4'-P-C4' energy: -139.777 flat angles P-C4'-P energy: -85.321 tors. eta vs tors. theta energy: -139.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1766.859890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.859890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.859890 (E_RNA) where: Base-Base interactions energy: -1155.164 where: short stacking energy: -478.111 Base-Backbone interact. energy: 2.076 local terms energy: -613.771930 where: bonds (distance) C4'-P energy: -142.281 bonds (distance) P-C4' energy: -145.464 flat angles C4'-P-C4' energy: -133.045 flat angles P-C4'-P energy: -76.679 tors. eta vs tors. theta energy: -116.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1251.211052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.211052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.211052 (E_RNA) where: Base-Base interactions energy: -746.283 where: short stacking energy: -370.639 Base-Backbone interact. energy: 5.571 local terms energy: -510.498908 where: bonds (distance) C4'-P energy: -122.259 bonds (distance) P-C4' energy: -128.048 flat angles C4'-P-C4' energy: -129.397 flat angles P-C4'-P energy: -74.819 tors. eta vs tors. theta energy: -55.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -697.568385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.568385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.568385 (E_RNA) where: Base-Base interactions energy: -282.666 where: short stacking energy: -203.290 Base-Backbone interact. energy: -1.085 local terms energy: -413.818088 where: bonds (distance) C4'-P energy: -122.655 bonds (distance) P-C4' energy: -135.977 flat angles C4'-P-C4' energy: -130.622 flat angles P-C4'-P energy: -47.704 tors. eta vs tors. theta energy: 23.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -3051.217998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.217998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.217998 (E_RNA) where: Base-Base interactions energy: -2164.561 where: short stacking energy: -868.928 Base-Backbone interact. energy: -4.766 local terms energy: -881.890279 where: bonds (distance) C4'-P energy: -168.049 bonds (distance) P-C4' energy: -159.194 flat angles C4'-P-C4' energy: -185.148 flat angles P-C4'-P energy: -131.846 tors. eta vs tors. theta energy: -237.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2828.557685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.557685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.557685 (E_RNA) where: Base-Base interactions energy: -1937.392 where: short stacking energy: -813.048 Base-Backbone interact. energy: -4.600 local terms energy: -886.565373 where: bonds (distance) C4'-P energy: -169.853 bonds (distance) P-C4' energy: -181.886 flat angles C4'-P-C4' energy: -175.450 flat angles P-C4'-P energy: -131.240 tors. eta vs tors. theta energy: -228.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2720.151438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.151438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.151438 (E_RNA) where: Base-Base interactions energy: -1891.039 where: short stacking energy: -805.480 Base-Backbone interact. energy: -1.097 local terms energy: -828.014785 where: bonds (distance) C4'-P energy: -139.862 bonds (distance) P-C4' energy: -156.092 flat angles C4'-P-C4' energy: -180.571 flat angles P-C4'-P energy: -115.697 tors. eta vs tors. theta energy: -235.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2595.047678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.047678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.047678 (E_RNA) where: Base-Base interactions energy: -1803.813 where: short stacking energy: -799.854 Base-Backbone interact. energy: 2.347 local terms energy: -793.582221 where: bonds (distance) C4'-P energy: -149.284 bonds (distance) P-C4' energy: -143.919 flat angles C4'-P-C4' energy: -175.214 flat angles P-C4'-P energy: -110.737 tors. eta vs tors. theta energy: -214.429 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: 4 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2447.610218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.610218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.610218 (E_RNA) where: Base-Base interactions energy: -1687.078 where: short stacking energy: -704.369 Base-Backbone interact. energy: -1.330 local terms energy: -759.202203 where: bonds (distance) C4'-P energy: -153.761 bonds (distance) P-C4' energy: -157.287 flat angles C4'-P-C4' energy: -160.439 flat angles P-C4'-P energy: -105.432 tors. eta vs tors. theta energy: -182.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -2234.143446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.143446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.143446 (E_RNA) where: Base-Base interactions energy: -1553.153 where: short stacking energy: -666.478 Base-Backbone interact. energy: -4.190 local terms energy: -677.523433 where: bonds (distance) C4'-P energy: -148.583 bonds (distance) P-C4' energy: -140.161 flat angles C4'-P-C4' energy: -139.936 flat angles P-C4'-P energy: -88.511 tors. eta vs tors. theta energy: -160.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.723 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1977.872929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.872929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.872929 (E_RNA) where: Base-Base interactions energy: -1318.079 where: short stacking energy: -583.223 Base-Backbone interact. energy: -4.146 local terms energy: -655.647770 where: bonds (distance) C4'-P energy: -123.607 bonds (distance) P-C4' energy: -141.845 flat angles C4'-P-C4' energy: -160.344 flat angles P-C4'-P energy: -99.465 tors. eta vs tors. theta energy: -130.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1753.758436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.758436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.758436 (E_RNA) where: Base-Base interactions energy: -1158.619 where: short stacking energy: -514.334 Base-Backbone interact. energy: -0.542 local terms energy: -594.597180 where: bonds (distance) C4'-P energy: -128.827 bonds (distance) P-C4' energy: -119.201 flat angles C4'-P-C4' energy: -146.553 flat angles P-C4'-P energy: -80.891 tors. eta vs tors. theta energy: -119.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -1288.998196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.998196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.998196 (E_RNA) where: Base-Base interactions energy: -755.646 where: short stacking energy: -343.932 Base-Backbone interact. energy: 2.121 local terms energy: -535.473385 where: bonds (distance) C4'-P energy: -147.746 bonds (distance) P-C4' energy: -155.132 flat angles C4'-P-C4' energy: -124.147 flat angles P-C4'-P energy: -73.050 tors. eta vs tors. theta energy: -35.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -617.879217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.879217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.879217 (E_RNA) where: Base-Base interactions energy: -233.884 where: short stacking energy: -189.721 Base-Backbone interact. energy: 0.564 local terms energy: -384.558828 where: bonds (distance) C4'-P energy: -117.262 bonds (distance) P-C4' energy: -140.649 flat angles C4'-P-C4' energy: -105.179 flat angles P-C4'-P energy: -64.563 tors. eta vs tors. theta energy: 43.094 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: 3 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -3043.193045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.193045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.193045 (E_RNA) where: Base-Base interactions energy: -2186.086 where: short stacking energy: -865.328 Base-Backbone interact. energy: -6.722 local terms energy: -850.385968 where: bonds (distance) C4'-P energy: -152.048 bonds (distance) P-C4' energy: -176.522 flat angles C4'-P-C4' energy: -177.277 flat angles P-C4'-P energy: -112.432 tors. eta vs tors. theta energy: -232.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2803.704246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.704246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.704246 (E_RNA) where: Base-Base interactions energy: -1932.852 where: short stacking energy: -802.463 Base-Backbone interact. energy: -3.133 local terms energy: -867.719067 where: bonds (distance) C4'-P energy: -156.556 bonds (distance) P-C4' energy: -167.928 flat angles C4'-P-C4' energy: -184.626 flat angles P-C4'-P energy: -124.189 tors. eta vs tors. theta energy: -234.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2727.546164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.546164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.546164 (E_RNA) where: Base-Base interactions energy: -1864.915 where: short stacking energy: -794.310 Base-Backbone interact. energy: -2.445 local terms energy: -860.185820 where: bonds (distance) C4'-P energy: -154.301 bonds (distance) P-C4' energy: -168.449 flat angles C4'-P-C4' energy: -184.283 flat angles P-C4'-P energy: -121.918 tors. eta vs tors. theta energy: -231.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2637.948085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.948085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.948085 (E_RNA) where: Base-Base interactions energy: -1834.181 where: short stacking energy: -767.327 Base-Backbone interact. energy: -0.342 local terms energy: -803.425048 where: bonds (distance) C4'-P energy: -133.347 bonds (distance) P-C4' energy: -159.419 flat angles C4'-P-C4' energy: -171.205 flat angles P-C4'-P energy: -117.243 tors. eta vs tors. theta energy: -222.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2447.480805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.480805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.480805 (E_RNA) where: Base-Base interactions energy: -1672.531 where: short stacking energy: -702.821 Base-Backbone interact. energy: -2.469 local terms energy: -772.479936 where: bonds (distance) C4'-P energy: -147.836 bonds (distance) P-C4' energy: -178.741 flat angles C4'-P-C4' energy: -170.684 flat angles P-C4'-P energy: -93.480 tors. eta vs tors. theta energy: -181.740 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: 8 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -2242.980915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.980915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.980915 (E_RNA) where: Base-Base interactions energy: -1531.610 where: short stacking energy: -647.713 Base-Backbone interact. energy: -2.915 local terms energy: -708.456256 where: bonds (distance) C4'-P energy: -137.707 bonds (distance) P-C4' energy: -119.622 flat angles C4'-P-C4' energy: -179.664 flat angles P-C4'-P energy: -111.997 tors. eta vs tors. theta energy: -159.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1922.224723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.224723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.224723 (E_RNA) where: Base-Base interactions energy: -1269.830 where: short stacking energy: -549.583 Base-Backbone interact. energy: -6.912 local terms energy: -645.482519 where: bonds (distance) C4'-P energy: -131.844 bonds (distance) P-C4' energy: -153.218 flat angles C4'-P-C4' energy: -158.050 flat angles P-C4'-P energy: -86.435 tors. eta vs tors. theta energy: -115.936 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: 9 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1776.045154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.045154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.045154 (E_RNA) where: Base-Base interactions energy: -1161.463 where: short stacking energy: -528.034 Base-Backbone interact. energy: 3.333 local terms energy: -617.915217 where: bonds (distance) C4'-P energy: -140.128 bonds (distance) P-C4' energy: -137.605 flat angles C4'-P-C4' energy: -143.950 flat angles P-C4'-P energy: -103.694 tors. eta vs tors. theta energy: -92.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1227.291356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.291356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.291356 (E_RNA) where: Base-Base interactions energy: -709.649 where: short stacking energy: -349.769 Base-Backbone interact. energy: -1.066 local terms energy: -516.576149 where: bonds (distance) C4'-P energy: -136.932 bonds (distance) P-C4' energy: -134.900 flat angles C4'-P-C4' energy: -115.191 flat angles P-C4'-P energy: -68.093 tors. eta vs tors. theta energy: -61.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -611.300101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.300101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.300101 (E_RNA) where: Base-Base interactions energy: -202.033 where: short stacking energy: -186.041 Base-Backbone interact. energy: 15.725 local terms energy: -424.991707 where: bonds (distance) C4'-P energy: -130.355 bonds (distance) P-C4' energy: -146.993 flat angles C4'-P-C4' energy: -103.376 flat angles P-C4'-P energy: -56.628 tors. eta vs tors. theta energy: 12.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -3086.257370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.257370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.257370 (E_RNA) where: Base-Base interactions energy: -2182.850 where: short stacking energy: -872.622 Base-Backbone interact. energy: -2.310 local terms energy: -901.097617 where: bonds (distance) C4'-P energy: -151.058 bonds (distance) P-C4' energy: -184.981 flat angles C4'-P-C4' energy: -196.215 flat angles P-C4'-P energy: -130.433 tors. eta vs tors. theta energy: -238.410 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: 2, replica: 5 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2796.903008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.903008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.903008 (E_RNA) where: Base-Base interactions energy: -1933.053 where: short stacking energy: -794.869 Base-Backbone interact. energy: -4.002 local terms energy: -859.847104 where: bonds (distance) C4'-P energy: -157.590 bonds (distance) P-C4' energy: -182.549 flat angles C4'-P-C4' energy: -165.418 flat angles P-C4'-P energy: -135.032 tors. eta vs tors. theta energy: -219.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2727.653703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.653703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.653703 (E_RNA) where: Base-Base interactions energy: -1907.095 where: short stacking energy: -754.864 Base-Backbone interact. energy: -2.760 local terms energy: -817.798785 where: bonds (distance) C4'-P energy: -156.170 bonds (distance) P-C4' energy: -155.894 flat angles C4'-P-C4' energy: -177.343 flat angles P-C4'-P energy: -113.848 tors. eta vs tors. theta energy: -214.544 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: 1 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2606.375782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.375782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.375782 (E_RNA) where: Base-Base interactions energy: -1797.021 where: short stacking energy: -781.605 Base-Backbone interact. energy: -1.485 local terms energy: -807.870233 where: bonds (distance) C4'-P energy: -150.409 bonds (distance) P-C4' energy: -159.343 flat angles C4'-P-C4' energy: -165.479 flat angles P-C4'-P energy: -123.563 tors. eta vs tors. theta energy: -209.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2447.668045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.668045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.668045 (E_RNA) where: Base-Base interactions energy: -1710.341 where: short stacking energy: -700.192 Base-Backbone interact. energy: -2.095 local terms energy: -735.232128 where: bonds (distance) C4'-P energy: -130.289 bonds (distance) P-C4' energy: -144.541 flat angles C4'-P-C4' energy: -180.578 flat angles P-C4'-P energy: -106.277 tors. eta vs tors. theta energy: -173.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -2261.334996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.334996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.334996 (E_RNA) where: Base-Base interactions energy: -1547.246 where: short stacking energy: -644.303 Base-Backbone interact. energy: -1.232 local terms energy: -712.856301 where: bonds (distance) C4'-P energy: -136.618 bonds (distance) P-C4' energy: -150.814 flat angles C4'-P-C4' energy: -152.634 flat angles P-C4'-P energy: -106.729 tors. eta vs tors. theta energy: -166.061 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: 376 Temperature: 1.200000 Total energy: -1905.208783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.208783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.208783 (E_RNA) where: Base-Base interactions energy: -1258.990 where: short stacking energy: -551.822 Base-Backbone interact. energy: -3.661 local terms energy: -642.557926 where: bonds (distance) C4'-P energy: -144.663 bonds (distance) P-C4' energy: -141.798 flat angles C4'-P-C4' energy: -144.485 flat angles P-C4'-P energy: -89.544 tors. eta vs tors. theta energy: -122.068 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: 9 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1745.923567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.923567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.923567 (E_RNA) where: Base-Base interactions energy: -1133.206 where: short stacking energy: -505.202 Base-Backbone interact. energy: -0.425 local terms energy: -612.291669 where: bonds (distance) C4'-P energy: -135.270 bonds (distance) P-C4' energy: -126.536 flat angles C4'-P-C4' energy: -148.688 flat angles P-C4'-P energy: -90.242 tors. eta vs tors. theta energy: -111.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1188.424249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.424249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.424249 (E_RNA) where: Base-Base interactions energy: -704.044 where: short stacking energy: -353.329 Base-Backbone interact. energy: 5.349 local terms energy: -489.728740 where: bonds (distance) C4'-P energy: -119.091 bonds (distance) P-C4' energy: -137.703 flat angles C4'-P-C4' energy: -128.437 flat angles P-C4'-P energy: -80.272 tors. eta vs tors. theta energy: -24.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -607.147648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.147648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.147648 (E_RNA) where: Base-Base interactions energy: -201.292 where: short stacking energy: -159.231 Base-Backbone interact. energy: 3.111 local terms energy: -408.966577 where: bonds (distance) C4'-P energy: -120.785 bonds (distance) P-C4' energy: -133.463 flat angles C4'-P-C4' energy: -101.052 flat angles P-C4'-P energy: -77.577 tors. eta vs tors. theta energy: 23.911 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: 3 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -3111.048291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.048291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.048291 (E_RNA) where: Base-Base interactions energy: -2225.346 where: short stacking energy: -887.340 Base-Backbone interact. energy: -6.151 local terms energy: -879.550915 where: bonds (distance) C4'-P energy: -135.024 bonds (distance) P-C4' energy: -169.372 flat angles C4'-P-C4' energy: -195.308 flat angles P-C4'-P energy: -133.551 tors. eta vs tors. theta energy: -246.296 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: 377 Temperature: 0.950000 Total energy: -2790.925262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.925262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.925262 (E_RNA) where: Base-Base interactions energy: -1935.878 where: short stacking energy: -786.865 Base-Backbone interact. energy: -3.662 local terms energy: -851.384760 where: bonds (distance) C4'-P energy: -159.668 bonds (distance) P-C4' energy: -181.460 flat angles C4'-P-C4' energy: -178.088 flat angles P-C4'-P energy: -111.427 tors. eta vs tors. theta energy: -220.741 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: 3, replica: 7 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2703.344419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.344419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.344419 (E_RNA) where: Base-Base interactions energy: -1865.080 where: short stacking energy: -766.088 Base-Backbone interact. energy: -1.578 local terms energy: -836.686569 where: bonds (distance) C4'-P energy: -157.714 bonds (distance) P-C4' energy: -151.791 flat angles C4'-P-C4' energy: -180.100 flat angles P-C4'-P energy: -123.430 tors. eta vs tors. theta energy: -223.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2598.287929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.287929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.287929 (E_RNA) where: Base-Base interactions energy: -1832.546 where: short stacking energy: -739.424 Base-Backbone interact. energy: -4.123 local terms energy: -761.618653 where: bonds (distance) C4'-P energy: -120.317 bonds (distance) P-C4' energy: -161.600 flat angles C4'-P-C4' energy: -163.614 flat angles P-C4'-P energy: -111.884 tors. eta vs tors. theta energy: -204.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2392.931418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.931418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.931418 (E_RNA) where: Base-Base interactions energy: -1680.757 where: short stacking energy: -692.958 Base-Backbone interact. energy: 1.233 local terms energy: -713.407895 where: bonds (distance) C4'-P energy: -127.431 bonds (distance) P-C4' energy: -150.257 flat angles C4'-P-C4' energy: -164.568 flat angles P-C4'-P energy: -114.428 tors. eta vs tors. theta energy: -156.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -2275.210642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.210642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.210642 (E_RNA) where: Base-Base interactions energy: -1586.823 where: short stacking energy: -667.324 Base-Backbone interact. energy: -1.490 local terms energy: -687.061382 where: bonds (distance) C4'-P energy: -136.097 bonds (distance) P-C4' energy: -144.542 flat angles C4'-P-C4' energy: -164.442 flat angles P-C4'-P energy: -94.232 tors. eta vs tors. theta energy: -147.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.163 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1990.856042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.856042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.856042 (E_RNA) where: Base-Base interactions energy: -1346.973 where: short stacking energy: -586.379 Base-Backbone interact. energy: -1.206 local terms energy: -642.677454 where: bonds (distance) C4'-P energy: -146.849 bonds (distance) P-C4' energy: -127.658 flat angles C4'-P-C4' energy: -144.014 flat angles P-C4'-P energy: -100.872 tors. eta vs tors. theta energy: -123.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1833.522122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.522122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.522122 (E_RNA) where: Base-Base interactions energy: -1198.549 where: short stacking energy: -515.857 Base-Backbone interact. energy: 1.363 local terms energy: -636.486428 where: bonds (distance) C4'-P energy: -131.156 bonds (distance) P-C4' energy: -150.924 flat angles C4'-P-C4' energy: -140.275 flat angles P-C4'-P energy: -90.589 tors. eta vs tors. theta energy: -123.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.151 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1193.473975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.473975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.473975 (E_RNA) where: Base-Base interactions energy: -693.522 where: short stacking energy: -362.576 Base-Backbone interact. energy: -3.145 local terms energy: -496.807072 where: bonds (distance) C4'-P energy: -107.921 bonds (distance) P-C4' energy: -151.951 flat angles C4'-P-C4' energy: -132.293 flat angles P-C4'-P energy: -69.616 tors. eta vs tors. theta energy: -35.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -620.682532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.682532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.682532 (E_RNA) where: Base-Base interactions energy: -206.058 where: short stacking energy: -154.975 Base-Backbone interact. energy: -0.020 local terms energy: -414.604875 where: bonds (distance) C4'-P energy: -156.740 bonds (distance) P-C4' energy: -161.044 flat angles C4'-P-C4' energy: -84.331 flat angles P-C4'-P energy: -50.817 tors. eta vs tors. theta energy: 38.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -3094.373223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.373223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.373223 (E_RNA) where: Base-Base interactions energy: -2178.643 where: short stacking energy: -872.124 Base-Backbone interact. energy: -9.697 local terms energy: -906.033728 where: bonds (distance) C4'-P energy: -157.682 bonds (distance) P-C4' energy: -172.630 flat angles C4'-P-C4' energy: -192.956 flat angles P-C4'-P energy: -141.801 tors. eta vs tors. theta energy: -240.964 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: 378 Temperature: 0.950000 Total energy: -2848.185523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.185523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.185523 (E_RNA) where: Base-Base interactions energy: -1995.335 where: short stacking energy: -851.778 Base-Backbone interact. energy: -4.255 local terms energy: -848.595394 where: bonds (distance) C4'-P energy: -136.420 bonds (distance) P-C4' energy: -167.948 flat angles C4'-P-C4' energy: -173.105 flat angles P-C4'-P energy: -132.619 tors. eta vs tors. theta energy: -238.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2714.568243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.568243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.568243 (E_RNA) where: Base-Base interactions energy: -1882.437 where: short stacking energy: -809.566 Base-Backbone interact. energy: -4.081 local terms energy: -828.050106 where: bonds (distance) C4'-P energy: -156.858 bonds (distance) P-C4' energy: -149.799 flat angles C4'-P-C4' energy: -180.687 flat angles P-C4'-P energy: -116.252 tors. eta vs tors. theta energy: -224.454 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: 4, replica: 1 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2558.612510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.612510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.612510 (E_RNA) where: Base-Base interactions energy: -1784.107 where: short stacking energy: -731.478 Base-Backbone interact. energy: 4.239 local terms energy: -778.744362 where: bonds (distance) C4'-P energy: -132.205 bonds (distance) P-C4' energy: -164.140 flat angles C4'-P-C4' energy: -184.557 flat angles P-C4'-P energy: -116.891 tors. eta vs tors. theta energy: -180.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2453.466041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.466041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.466041 (E_RNA) where: Base-Base interactions energy: -1678.525 where: short stacking energy: -692.216 Base-Backbone interact. energy: -2.786 local terms energy: -772.155758 where: bonds (distance) C4'-P energy: -144.468 bonds (distance) P-C4' energy: -164.861 flat angles C4'-P-C4' energy: -171.648 flat angles P-C4'-P energy: -106.862 tors. eta vs tors. theta energy: -184.317 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: 6, replica: 8 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -2285.079722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.079722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.079722 (E_RNA) where: Base-Base interactions energy: -1572.615 where: short stacking energy: -657.580 Base-Backbone interact. energy: -2.940 local terms energy: -709.524735 where: bonds (distance) C4'-P energy: -134.817 bonds (distance) P-C4' energy: -157.290 flat angles C4'-P-C4' energy: -149.224 flat angles P-C4'-P energy: -106.019 tors. eta vs tors. theta energy: -162.175 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: 378 Temperature: 1.200000 Total energy: -1963.416664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.416664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.416664 (E_RNA) where: Base-Base interactions energy: -1308.617 where: short stacking energy: -570.449 Base-Backbone interact. energy: 3.706 local terms energy: -658.505646 where: bonds (distance) C4'-P energy: -129.780 bonds (distance) P-C4' energy: -147.876 flat angles C4'-P-C4' energy: -142.797 flat angles P-C4'-P energy: -107.278 tors. eta vs tors. theta energy: -130.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1798.187906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.187906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.187906 (E_RNA) where: Base-Base interactions energy: -1181.644 where: short stacking energy: -534.962 Base-Backbone interact. energy: 5.340 local terms energy: -621.884028 where: bonds (distance) C4'-P energy: -131.424 bonds (distance) P-C4' energy: -157.052 flat angles C4'-P-C4' energy: -134.874 flat angles P-C4'-P energy: -88.960 tors. eta vs tors. theta energy: -109.574 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: 2 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -1211.981821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.981821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.981821 (E_RNA) where: Base-Base interactions energy: -687.824 where: short stacking energy: -329.723 Base-Backbone interact. energy: -3.335 local terms energy: -520.822570 where: bonds (distance) C4'-P energy: -131.398 bonds (distance) P-C4' energy: -149.416 flat angles C4'-P-C4' energy: -121.375 flat angles P-C4'-P energy: -85.135 tors. eta vs tors. theta energy: -33.499 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: 10 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -636.955685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.955685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.955685 (E_RNA) where: Base-Base interactions energy: -222.107 where: short stacking energy: -173.938 Base-Backbone interact. energy: 2.652 local terms energy: -417.500621 where: bonds (distance) C4'-P energy: -122.153 bonds (distance) P-C4' energy: -152.148 flat angles C4'-P-C4' energy: -90.324 flat angles P-C4'-P energy: -91.983 tors. eta vs tors. theta energy: 39.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -3080.852371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.852371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.852371 (E_RNA) where: Base-Base interactions energy: -2196.620 where: short stacking energy: -874.655 Base-Backbone interact. energy: -2.822 local terms energy: -881.410314 where: bonds (distance) C4'-P energy: -139.198 bonds (distance) P-C4' energy: -168.902 flat angles C4'-P-C4' energy: -197.372 flat angles P-C4'-P energy: -142.174 tors. eta vs tors. theta energy: -233.764 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: 5 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2848.681126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.681126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.681126 (E_RNA) where: Base-Base interactions energy: -2010.864 where: short stacking energy: -819.897 Base-Backbone interact. energy: -4.420 local terms energy: -833.396719 where: bonds (distance) C4'-P energy: -147.930 bonds (distance) P-C4' energy: -172.327 flat angles C4'-P-C4' energy: -173.810 flat angles P-C4'-P energy: -116.185 tors. eta vs tors. theta energy: -223.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2707.947282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.947282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.947282 (E_RNA) where: Base-Base interactions energy: -1893.945 where: short stacking energy: -789.018 Base-Backbone interact. energy: -5.759 local terms energy: -808.242976 where: bonds (distance) C4'-P energy: -135.633 bonds (distance) P-C4' energy: -172.371 flat angles C4'-P-C4' energy: -186.568 flat angles P-C4'-P energy: -98.980 tors. eta vs tors. theta energy: -214.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2631.787881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.787881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.787881 (E_RNA) where: Base-Base interactions energy: -1825.337 where: short stacking energy: -783.631 Base-Backbone interact. energy: 0.410 local terms energy: -806.861454 where: bonds (distance) C4'-P energy: -138.145 bonds (distance) P-C4' energy: -157.035 flat angles C4'-P-C4' energy: -172.343 flat angles P-C4'-P energy: -124.630 tors. eta vs tors. theta energy: -214.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2433.227830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.227830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.227830 (E_RNA) where: Base-Base interactions energy: -1715.317 where: short stacking energy: -714.980 Base-Backbone interact. energy: -1.525 local terms energy: -716.385860 where: bonds (distance) C4'-P energy: -131.839 bonds (distance) P-C4' energy: -122.898 flat angles C4'-P-C4' energy: -164.601 flat angles P-C4'-P energy: -107.701 tors. eta vs tors. theta energy: -189.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -2283.952468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.952468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.952468 (E_RNA) where: Base-Base interactions energy: -1549.454 where: short stacking energy: -688.935 Base-Backbone interact. energy: -2.474 local terms energy: -732.023544 where: bonds (distance) C4'-P energy: -134.362 bonds (distance) P-C4' energy: -161.040 flat angles C4'-P-C4' energy: -177.855 flat angles P-C4'-P energy: -90.504 tors. eta vs tors. theta energy: -168.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1896.847288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.847288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.847288 (E_RNA) where: Base-Base interactions energy: -1233.903 where: short stacking energy: -547.822 Base-Backbone interact. energy: -0.942 local terms energy: -662.002509 where: bonds (distance) C4'-P energy: -151.218 bonds (distance) P-C4' energy: -140.644 flat angles C4'-P-C4' energy: -156.916 flat angles P-C4'-P energy: -95.341 tors. eta vs tors. theta energy: -117.884 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: 9 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1830.695629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.695629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.695629 (E_RNA) where: Base-Base interactions energy: -1210.272 where: short stacking energy: -508.131 Base-Backbone interact. energy: 1.509 local terms energy: -621.932262 where: bonds (distance) C4'-P energy: -134.926 bonds (distance) P-C4' energy: -137.465 flat angles C4'-P-C4' energy: -148.998 flat angles P-C4'-P energy: -91.534 tors. eta vs tors. theta energy: -109.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1240.134207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.134207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.134207 (E_RNA) where: Base-Base interactions energy: -713.982 where: short stacking energy: -358.269 Base-Backbone interact. energy: 4.952 local terms energy: -531.104481 where: bonds (distance) C4'-P energy: -138.254 bonds (distance) P-C4' energy: -144.028 flat angles C4'-P-C4' energy: -116.371 flat angles P-C4'-P energy: -75.058 tors. eta vs tors. theta energy: -57.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -676.649464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.649464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.649464 (E_RNA) where: Base-Base interactions energy: -257.951 where: short stacking energy: -173.206 Base-Backbone interact. energy: 2.134 local terms energy: -420.832336 where: bonds (distance) C4'-P energy: -130.575 bonds (distance) P-C4' energy: -157.996 flat angles C4'-P-C4' energy: -104.219 flat angles P-C4'-P energy: -75.746 tors. eta vs tors. theta energy: 47.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -3084.341792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.341792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.341792 (E_RNA) where: Base-Base interactions energy: -2181.184 where: short stacking energy: -868.605 Base-Backbone interact. energy: -4.306 local terms energy: -898.851776 where: bonds (distance) C4'-P energy: -153.077 bonds (distance) P-C4' energy: -183.682 flat angles C4'-P-C4' energy: -183.554 flat angles P-C4'-P energy: -138.424 tors. eta vs tors. theta energy: -240.115 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: 380 Temperature: 0.950000 Total energy: -2835.150137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.150137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.150137 (E_RNA) where: Base-Base interactions energy: -1988.403 where: short stacking energy: -824.953 Base-Backbone interact. energy: -5.202 local terms energy: -841.545304 where: bonds (distance) C4'-P energy: -152.485 bonds (distance) P-C4' energy: -158.578 flat angles C4'-P-C4' energy: -184.105 flat angles P-C4'-P energy: -119.215 tors. eta vs tors. theta energy: -227.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2738.848955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.848955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.848955 (E_RNA) where: Base-Base interactions energy: -1888.562 where: short stacking energy: -798.562 Base-Backbone interact. energy: -1.526 local terms energy: -848.761598 where: bonds (distance) C4'-P energy: -156.595 bonds (distance) P-C4' energy: -155.878 flat angles C4'-P-C4' energy: -176.520 flat angles P-C4'-P energy: -121.999 tors. eta vs tors. theta energy: -237.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2600.247172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.247172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.247172 (E_RNA) where: Base-Base interactions energy: -1801.843 where: short stacking energy: -759.339 Base-Backbone interact. energy: -2.864 local terms energy: -795.540559 where: bonds (distance) C4'-P energy: -135.073 bonds (distance) P-C4' energy: -152.997 flat angles C4'-P-C4' energy: -172.981 flat angles P-C4'-P energy: -112.085 tors. eta vs tors. theta energy: -222.405 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: 4 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2462.321338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.321338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.321338 (E_RNA) where: Base-Base interactions energy: -1726.782 where: short stacking energy: -711.111 Base-Backbone interact. energy: -0.799 local terms energy: -734.740587 where: bonds (distance) C4'-P energy: -126.699 bonds (distance) P-C4' energy: -144.324 flat angles C4'-P-C4' energy: -165.735 flat angles P-C4'-P energy: -101.635 tors. eta vs tors. theta energy: -196.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -2254.097636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.097636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.097636 (E_RNA) where: Base-Base interactions energy: -1545.133 where: short stacking energy: -677.685 Base-Backbone interact. energy: -2.554 local terms energy: -706.410447 where: bonds (distance) C4'-P energy: -129.702 bonds (distance) P-C4' energy: -150.589 flat angles C4'-P-C4' energy: -146.915 flat angles P-C4'-P energy: -102.415 tors. eta vs tors. theta energy: -176.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1893.781505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.781505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.781505 (E_RNA) where: Base-Base interactions energy: -1256.214 where: short stacking energy: -564.757 Base-Backbone interact. energy: 0.757 local terms energy: -638.324965 where: bonds (distance) C4'-P energy: -130.805 bonds (distance) P-C4' energy: -154.934 flat angles C4'-P-C4' energy: -139.987 flat angles P-C4'-P energy: -86.304 tors. eta vs tors. theta energy: -126.295 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: 9 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1769.677090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.677090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.677090 (E_RNA) where: Base-Base interactions energy: -1177.726 where: short stacking energy: -543.898 Base-Backbone interact. energy: -0.904 local terms energy: -591.047024 where: bonds (distance) C4'-P energy: -122.069 bonds (distance) P-C4' energy: -150.792 flat angles C4'-P-C4' energy: -116.929 flat angles P-C4'-P energy: -89.870 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: 9, replica: 2 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -1189.982355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.982355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.982355 (E_RNA) where: Base-Base interactions energy: -696.847 where: short stacking energy: -333.444 Base-Backbone interact. energy: -1.724 local terms energy: -491.411337 where: bonds (distance) C4'-P energy: -119.284 bonds (distance) P-C4' energy: -137.063 flat angles C4'-P-C4' energy: -115.208 flat angles P-C4'-P energy: -70.619 tors. eta vs tors. theta energy: -49.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -695.717380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.717380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.717380 (E_RNA) where: Base-Base interactions energy: -295.060 where: short stacking energy: -226.188 Base-Backbone interact. energy: 7.937 local terms energy: -409.965229 where: bonds (distance) C4'-P energy: -114.173 bonds (distance) P-C4' energy: -117.366 flat angles C4'-P-C4' energy: -127.055 flat angles P-C4'-P energy: -75.674 tors. eta vs tors. theta energy: 24.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.371 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -3081.860913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.860913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.860913 (E_RNA) where: Base-Base interactions energy: -2199.012 where: short stacking energy: -893.160 Base-Backbone interact. energy: -2.525 local terms energy: -880.323314 where: bonds (distance) C4'-P energy: -157.775 bonds (distance) P-C4' energy: -162.554 flat angles C4'-P-C4' energy: -192.897 flat angles P-C4'-P energy: -131.118 tors. eta vs tors. theta energy: -235.980 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: 381 Temperature: 0.950000 Total energy: -2836.976812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.976812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.976812 (E_RNA) where: Base-Base interactions energy: -2001.983 where: short stacking energy: -833.558 Base-Backbone interact. energy: -6.105 local terms energy: -828.888958 where: bonds (distance) C4'-P energy: -155.204 bonds (distance) P-C4' energy: -158.626 flat angles C4'-P-C4' energy: -177.061 flat angles P-C4'-P energy: -118.761 tors. eta vs tors. theta energy: -219.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2720.908914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.908914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.908914 (E_RNA) where: Base-Base interactions energy: -1862.453 where: short stacking energy: -805.225 Base-Backbone interact. energy: 0.569 local terms energy: -859.025495 where: bonds (distance) C4'-P energy: -146.212 bonds (distance) P-C4' energy: -176.979 flat angles C4'-P-C4' energy: -172.969 flat angles P-C4'-P energy: -137.240 tors. eta vs tors. theta energy: -225.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2569.845270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.845270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.845270 (E_RNA) where: Base-Base interactions energy: -1782.192 where: short stacking energy: -753.293 Base-Backbone interact. energy: -5.701 local terms energy: -781.951617 where: bonds (distance) C4'-P energy: -157.919 bonds (distance) P-C4' energy: -142.531 flat angles C4'-P-C4' energy: -165.038 flat angles P-C4'-P energy: -105.877 tors. eta vs tors. theta energy: -210.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2407.004151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.004151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.004151 (E_RNA) where: Base-Base interactions energy: -1643.663 where: short stacking energy: -689.799 Base-Backbone interact. energy: -1.538 local terms energy: -761.803374 where: bonds (distance) C4'-P energy: -151.741 bonds (distance) P-C4' energy: -158.983 flat angles C4'-P-C4' energy: -170.372 flat angles P-C4'-P energy: -99.162 tors. eta vs tors. theta energy: -181.545 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: 8 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -2265.456817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.456817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.456817 (E_RNA) where: Base-Base interactions energy: -1575.571 where: short stacking energy: -661.909 Base-Backbone interact. energy: -3.608 local terms energy: -686.278482 where: bonds (distance) C4'-P energy: -141.396 bonds (distance) P-C4' energy: -144.241 flat angles C4'-P-C4' energy: -143.996 flat angles P-C4'-P energy: -95.466 tors. eta vs tors. theta energy: -161.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1943.322565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.322565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.322565 (E_RNA) where: Base-Base interactions energy: -1302.935 where: short stacking energy: -579.466 Base-Backbone interact. energy: 1.762 local terms energy: -642.149302 where: bonds (distance) C4'-P energy: -140.828 bonds (distance) P-C4' energy: -142.374 flat angles C4'-P-C4' energy: -146.871 flat angles P-C4'-P energy: -87.982 tors. eta vs tors. theta energy: -124.094 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: 9 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1792.976038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.976038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.976038 (E_RNA) where: Base-Base interactions energy: -1196.107 where: short stacking energy: -523.838 Base-Backbone interact. energy: 6.919 local terms energy: -603.788690 where: bonds (distance) C4'-P energy: -141.803 bonds (distance) P-C4' energy: -133.602 flat angles C4'-P-C4' energy: -145.679 flat angles P-C4'-P energy: -83.316 tors. eta vs tors. theta energy: -99.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1220.029564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.029564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.029564 (E_RNA) where: Base-Base interactions energy: -680.778 where: short stacking energy: -328.111 Base-Backbone interact. energy: 1.927 local terms energy: -541.179062 where: bonds (distance) C4'-P energy: -133.058 bonds (distance) P-C4' energy: -148.179 flat angles C4'-P-C4' energy: -131.736 flat angles P-C4'-P energy: -80.288 tors. eta vs tors. theta energy: -47.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -661.542425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.542425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.542425 (E_RNA) where: Base-Base interactions energy: -243.894 where: short stacking energy: -171.453 Base-Backbone interact. energy: -0.822 local terms energy: -416.826516 where: bonds (distance) C4'-P energy: -149.834 bonds (distance) P-C4' energy: -149.375 flat angles C4'-P-C4' energy: -115.589 flat angles P-C4'-P energy: -44.210 tors. eta vs tors. theta energy: 42.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -3060.647673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.647673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.647673 (E_RNA) where: Base-Base interactions energy: -2185.075 where: short stacking energy: -867.649 Base-Backbone interact. energy: 2.363 local terms energy: -877.935936 where: bonds (distance) C4'-P energy: -150.271 bonds (distance) P-C4' energy: -162.948 flat angles C4'-P-C4' energy: -185.580 flat angles P-C4'-P energy: -135.039 tors. eta vs tors. theta energy: -244.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2854.773210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.773210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.773210 (E_RNA) where: Base-Base interactions energy: -2002.344 where: short stacking energy: -814.992 Base-Backbone interact. energy: -7.133 local terms energy: -845.295919 where: bonds (distance) C4'-P energy: -157.789 bonds (distance) P-C4' energy: -163.848 flat angles C4'-P-C4' energy: -174.727 flat angles P-C4'-P energy: -118.327 tors. eta vs tors. theta energy: -230.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2693.750190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.750190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.750190 (E_RNA) where: Base-Base interactions energy: -1862.002 where: short stacking energy: -768.205 Base-Backbone interact. energy: -3.064 local terms energy: -828.684140 where: bonds (distance) C4'-P energy: -154.617 bonds (distance) P-C4' energy: -157.419 flat angles C4'-P-C4' energy: -181.456 flat angles P-C4'-P energy: -126.261 tors. eta vs tors. theta energy: -208.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2569.302165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.302165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.302165 (E_RNA) where: Base-Base interactions energy: -1790.521 where: short stacking energy: -756.585 Base-Backbone interact. energy: -0.403 local terms energy: -778.377898 where: bonds (distance) C4'-P energy: -144.776 bonds (distance) P-C4' energy: -159.613 flat angles C4'-P-C4' energy: -160.046 flat angles P-C4'-P energy: -108.232 tors. eta vs tors. theta energy: -205.711 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: 4 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2394.951699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.951699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.951699 (E_RNA) where: Base-Base interactions energy: -1675.327 where: short stacking energy: -672.981 Base-Backbone interact. energy: -1.045 local terms energy: -718.579173 where: bonds (distance) C4'-P energy: -142.502 bonds (distance) P-C4' energy: -151.888 flat angles C4'-P-C4' energy: -147.508 flat angles P-C4'-P energy: -107.542 tors. eta vs tors. theta energy: -169.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2228.399113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.399113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.399113 (E_RNA) where: Base-Base interactions energy: -1508.418 where: short stacking energy: -653.623 Base-Backbone interact. energy: -2.307 local terms energy: -717.673872 where: bonds (distance) C4'-P energy: -145.628 bonds (distance) P-C4' energy: -153.020 flat angles C4'-P-C4' energy: -158.993 flat angles P-C4'-P energy: -95.987 tors. eta vs tors. theta energy: -164.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1977.340568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.340568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.340568 (E_RNA) where: Base-Base interactions energy: -1297.987 where: short stacking energy: -565.356 Base-Backbone interact. energy: -0.080 local terms energy: -679.273412 where: bonds (distance) C4'-P energy: -150.088 bonds (distance) P-C4' energy: -155.874 flat angles C4'-P-C4' energy: -153.519 flat angles P-C4'-P energy: -93.352 tors. eta vs tors. theta energy: -126.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1809.312485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.312485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.312485 (E_RNA) where: Base-Base interactions energy: -1197.043 where: short stacking energy: -553.753 Base-Backbone interact. energy: -0.936 local terms energy: -611.333366 where: bonds (distance) C4'-P energy: -123.667 bonds (distance) P-C4' energy: -134.489 flat angles C4'-P-C4' energy: -131.548 flat angles P-C4'-P energy: -102.445 tors. eta vs tors. theta energy: -119.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -1336.173736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.173736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.173736 (E_RNA) where: Base-Base interactions energy: -806.258 where: short stacking energy: -388.543 Base-Backbone interact. energy: 0.986 local terms energy: -530.902453 where: bonds (distance) C4'-P energy: -113.293 bonds (distance) P-C4' energy: -155.411 flat angles C4'-P-C4' energy: -136.698 flat angles P-C4'-P energy: -65.955 tors. eta vs tors. theta energy: -59.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -667.064921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.064921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.064921 (E_RNA) where: Base-Base interactions energy: -245.638 where: short stacking energy: -167.889 Base-Backbone interact. energy: -2.730 local terms energy: -418.696907 where: bonds (distance) C4'-P energy: -149.129 bonds (distance) P-C4' energy: -134.055 flat angles C4'-P-C4' energy: -92.174 flat angles P-C4'-P energy: -68.786 tors. eta vs tors. theta energy: 25.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -3067.894209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.894209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.894209 (E_RNA) where: Base-Base interactions energy: -2169.236 where: short stacking energy: -878.510 Base-Backbone interact. energy: -5.095 local terms energy: -893.563406 where: bonds (distance) C4'-P energy: -167.234 bonds (distance) P-C4' energy: -176.301 flat angles C4'-P-C4' energy: -182.878 flat angles P-C4'-P energy: -134.011 tors. eta vs tors. theta energy: -233.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2862.089161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.089161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.089161 (E_RNA) where: Base-Base interactions energy: -2023.135 where: short stacking energy: -829.281 Base-Backbone interact. energy: -6.822 local terms energy: -832.131390 where: bonds (distance) C4'-P energy: -146.804 bonds (distance) P-C4' energy: -165.317 flat angles C4'-P-C4' energy: -179.039 flat angles P-C4'-P energy: -117.087 tors. eta vs tors. theta energy: -223.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2750.894649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.894649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.894649 (E_RNA) where: Base-Base interactions energy: -1928.122 where: short stacking energy: -794.262 Base-Backbone interact. energy: -0.483 local terms energy: -822.290209 where: bonds (distance) C4'-P energy: -158.079 bonds (distance) P-C4' energy: -164.323 flat angles C4'-P-C4' energy: -164.817 flat angles P-C4'-P energy: -127.889 tors. eta vs tors. theta energy: -207.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2601.233514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.233514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.233514 (E_RNA) where: Base-Base interactions energy: -1794.916 where: short stacking energy: -742.359 Base-Backbone interact. energy: 0.589 local terms energy: -806.906034 where: bonds (distance) C4'-P energy: -152.944 bonds (distance) P-C4' energy: -140.608 flat angles C4'-P-C4' energy: -170.849 flat angles P-C4'-P energy: -123.058 tors. eta vs tors. theta energy: -219.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2391.965220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.965220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.965220 (E_RNA) where: Base-Base interactions energy: -1674.593 where: short stacking energy: -683.134 Base-Backbone interact. energy: -1.458 local terms energy: -715.915016 where: bonds (distance) C4'-P energy: -128.560 bonds (distance) P-C4' energy: -136.715 flat angles C4'-P-C4' energy: -167.714 flat angles P-C4'-P energy: -120.245 tors. eta vs tors. theta energy: -162.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -2227.072032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.072032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.072032 (E_RNA) where: Base-Base interactions energy: -1522.950 where: short stacking energy: -671.195 Base-Backbone interact. energy: 3.518 local terms energy: -707.927128 where: bonds (distance) C4'-P energy: -116.721 bonds (distance) P-C4' energy: -142.784 flat angles C4'-P-C4' energy: -160.048 flat angles P-C4'-P energy: -107.620 tors. eta vs tors. theta energy: -180.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.287 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1981.898946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.898946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.898946 (E_RNA) where: Base-Base interactions energy: -1311.576 where: short stacking energy: -569.209 Base-Backbone interact. energy: -2.550 local terms energy: -667.773121 where: bonds (distance) C4'-P energy: -141.611 bonds (distance) P-C4' energy: -141.197 flat angles C4'-P-C4' energy: -165.988 flat angles P-C4'-P energy: -101.024 tors. eta vs tors. theta energy: -117.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1791.522578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.522578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.522578 (E_RNA) where: Base-Base interactions energy: -1189.845 where: short stacking energy: -536.512 Base-Backbone interact. energy: -0.142 local terms energy: -601.534954 where: bonds (distance) C4'-P energy: -117.638 bonds (distance) P-C4' energy: -136.061 flat angles C4'-P-C4' energy: -151.918 flat angles P-C4'-P energy: -75.671 tors. eta vs tors. theta energy: -120.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -1211.296996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.296996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.296996 (E_RNA) where: Base-Base interactions energy: -705.646 where: short stacking energy: -340.842 Base-Backbone interact. energy: 0.078 local terms energy: -505.728806 where: bonds (distance) C4'-P energy: -145.846 bonds (distance) P-C4' energy: -150.152 flat angles C4'-P-C4' energy: -125.967 flat angles P-C4'-P energy: -65.189 tors. eta vs tors. theta energy: -18.574 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: 10 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -675.634849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.634849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.634849 (E_RNA) where: Base-Base interactions energy: -259.455 where: short stacking energy: -180.213 Base-Backbone interact. energy: 0.337 local terms energy: -416.516638 where: bonds (distance) C4'-P energy: -125.087 bonds (distance) P-C4' energy: -132.031 flat angles C4'-P-C4' energy: -112.740 flat angles P-C4'-P energy: -76.768 tors. eta vs tors. theta energy: 30.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -3096.084514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.084514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.084514 (E_RNA) where: Base-Base interactions energy: -2192.810 where: short stacking energy: -865.645 Base-Backbone interact. energy: -5.774 local terms energy: -897.500536 where: bonds (distance) C4'-P energy: -164.469 bonds (distance) P-C4' energy: -154.426 flat angles C4'-P-C4' energy: -197.247 flat angles P-C4'-P energy: -138.006 tors. eta vs tors. theta energy: -243.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2886.512853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.512853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.512853 (E_RNA) where: Base-Base interactions energy: -2016.439 where: short stacking energy: -829.198 Base-Backbone interact. energy: -2.516 local terms energy: -867.558258 where: bonds (distance) C4'-P energy: -157.893 bonds (distance) P-C4' energy: -175.070 flat angles C4'-P-C4' energy: -181.145 flat angles P-C4'-P energy: -113.360 tors. eta vs tors. theta energy: -240.091 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: 7 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2753.232558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.232558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.232558 (E_RNA) where: Base-Base interactions energy: -1916.133 where: short stacking energy: -793.459 Base-Backbone interact. energy: -7.041 local terms energy: -830.058073 where: bonds (distance) C4'-P energy: -160.236 bonds (distance) P-C4' energy: -152.581 flat angles C4'-P-C4' energy: -176.912 flat angles P-C4'-P energy: -121.936 tors. eta vs tors. theta energy: -218.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2580.318050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.318050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.318050 (E_RNA) where: Base-Base interactions energy: -1782.722 where: short stacking energy: -727.813 Base-Backbone interact. energy: -3.162 local terms energy: -794.434679 where: bonds (distance) C4'-P energy: -147.460 bonds (distance) P-C4' energy: -150.797 flat angles C4'-P-C4' energy: -181.201 flat angles P-C4'-P energy: -119.398 tors. eta vs tors. theta energy: -195.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2440.794646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.794646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.794646 (E_RNA) where: Base-Base interactions energy: -1716.346 where: short stacking energy: -741.214 Base-Backbone interact. energy: 0.081 local terms energy: -724.529595 where: bonds (distance) C4'-P energy: -132.243 bonds (distance) P-C4' energy: -140.006 flat angles C4'-P-C4' energy: -169.262 flat angles P-C4'-P energy: -98.603 tors. eta vs tors. theta energy: -184.415 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: 8 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -2285.200641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.200641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.200641 (E_RNA) where: Base-Base interactions energy: -1549.339 where: short stacking energy: -667.518 Base-Backbone interact. energy: 0.603 local terms energy: -737.646920 where: bonds (distance) C4'-P energy: -140.474 bonds (distance) P-C4' energy: -156.525 flat angles C4'-P-C4' energy: -148.744 flat angles P-C4'-P energy: -119.592 tors. eta vs tors. theta energy: -172.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.183 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1963.453610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.453610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.453610 (E_RNA) where: Base-Base interactions energy: -1316.624 where: short stacking energy: -558.896 Base-Backbone interact. energy: -0.777 local terms energy: -646.052290 where: bonds (distance) C4'-P energy: -127.378 bonds (distance) P-C4' energy: -161.930 flat angles C4'-P-C4' energy: -120.651 flat angles P-C4'-P energy: -99.884 tors. eta vs tors. theta energy: -136.209 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: 9 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1711.194357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.194357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.194357 (E_RNA) where: Base-Base interactions energy: -1105.068 where: short stacking energy: -475.192 Base-Backbone interact. energy: -0.659 local terms energy: -605.467056 where: bonds (distance) C4'-P energy: -139.748 bonds (distance) P-C4' energy: -137.763 flat angles C4'-P-C4' energy: -144.241 flat angles P-C4'-P energy: -75.962 tors. eta vs tors. theta energy: -107.753 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: 384 Temperature: 1.300000 Total energy: -1136.922361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.922361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.922361 (E_RNA) where: Base-Base interactions energy: -677.111 where: short stacking energy: -347.792 Base-Backbone interact. energy: 0.420 local terms energy: -460.231547 where: bonds (distance) C4'-P energy: -117.701 bonds (distance) P-C4' energy: -132.326 flat angles C4'-P-C4' energy: -122.924 flat angles P-C4'-P energy: -67.009 tors. eta vs tors. theta energy: -20.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -704.910111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.910111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.910111 (E_RNA) where: Base-Base interactions energy: -282.000 where: short stacking energy: -165.902 Base-Backbone interact. energy: 11.631 local terms energy: -434.540240 where: bonds (distance) C4'-P energy: -128.522 bonds (distance) P-C4' energy: -121.682 flat angles C4'-P-C4' energy: -114.235 flat angles P-C4'-P energy: -101.800 tors. eta vs tors. theta energy: 31.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -3085.687868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.687868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.687868 (E_RNA) where: Base-Base interactions energy: -2191.536 where: short stacking energy: -865.339 Base-Backbone interact. energy: -6.199 local terms energy: -887.953411 where: bonds (distance) C4'-P energy: -157.778 bonds (distance) P-C4' energy: -174.570 flat angles C4'-P-C4' energy: -190.078 flat angles P-C4'-P energy: -122.175 tors. eta vs tors. theta energy: -243.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2854.299859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.299859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.299859 (E_RNA) where: Base-Base interactions energy: -2005.019 where: short stacking energy: -822.199 Base-Backbone interact. energy: -8.036 local terms energy: -841.244901 where: bonds (distance) C4'-P energy: -141.578 bonds (distance) P-C4' energy: -152.302 flat angles C4'-P-C4' energy: -192.496 flat angles P-C4'-P energy: -130.213 tors. eta vs tors. theta energy: -224.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2706.085461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.085461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.085461 (E_RNA) where: Base-Base interactions energy: -1881.137 where: short stacking energy: -774.866 Base-Backbone interact. energy: -3.207 local terms energy: -821.741654 where: bonds (distance) C4'-P energy: -140.195 bonds (distance) P-C4' energy: -173.256 flat angles C4'-P-C4' energy: -184.810 flat angles P-C4'-P energy: -103.691 tors. eta vs tors. theta energy: -219.789 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: 1 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2630.483379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.483379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.483379 (E_RNA) where: Base-Base interactions energy: -1856.731 where: short stacking energy: -782.540 Base-Backbone interact. energy: -3.613 local terms energy: -770.139631 where: bonds (distance) C4'-P energy: -139.234 bonds (distance) P-C4' energy: -139.197 flat angles C4'-P-C4' energy: -168.508 flat angles P-C4'-P energy: -115.683 tors. eta vs tors. theta energy: -207.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2416.943125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.943125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.943125 (E_RNA) where: Base-Base interactions energy: -1685.986 where: short stacking energy: -714.341 Base-Backbone interact. energy: 0.282 local terms energy: -731.239116 where: bonds (distance) C4'-P energy: -148.362 bonds (distance) P-C4' energy: -154.333 flat angles C4'-P-C4' energy: -155.895 flat angles P-C4'-P energy: -95.811 tors. eta vs tors. theta energy: -176.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -2231.074015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.074015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.074015 (E_RNA) where: Base-Base interactions energy: -1554.686 where: short stacking energy: -678.240 Base-Backbone interact. energy: -0.305 local terms energy: -676.083617 where: bonds (distance) C4'-P energy: -138.740 bonds (distance) P-C4' energy: -121.646 flat angles C4'-P-C4' energy: -150.748 flat angles P-C4'-P energy: -96.299 tors. eta vs tors. theta energy: -168.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -2036.245864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.245864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.245864 (E_RNA) where: Base-Base interactions energy: -1334.710 where: short stacking energy: -597.728 Base-Backbone interact. energy: 3.063 local terms energy: -704.598566 where: bonds (distance) C4'-P energy: -149.138 bonds (distance) P-C4' energy: -162.865 flat angles C4'-P-C4' energy: -145.384 flat angles P-C4'-P energy: -102.033 tors. eta vs tors. theta energy: -145.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1717.592669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.592669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.592669 (E_RNA) where: Base-Base interactions energy: -1104.045 where: short stacking energy: -496.764 Base-Backbone interact. energy: 1.205 local terms energy: -614.752584 where: bonds (distance) C4'-P energy: -133.115 bonds (distance) P-C4' energy: -150.634 flat angles C4'-P-C4' energy: -138.035 flat angles P-C4'-P energy: -95.320 tors. eta vs tors. theta energy: -97.649 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: 9, replica: 2 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -1190.185020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.185020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.185020 (E_RNA) where: Base-Base interactions energy: -674.176 where: short stacking energy: -369.455 Base-Backbone interact. energy: 4.597 local terms energy: -520.606397 where: bonds (distance) C4'-P energy: -128.293 bonds (distance) P-C4' energy: -133.025 flat angles C4'-P-C4' energy: -118.541 flat angles P-C4'-P energy: -89.735 tors. eta vs tors. theta energy: -51.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -667.393173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.393173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.393173 (E_RNA) where: Base-Base interactions energy: -255.699 where: short stacking energy: -174.503 Base-Backbone interact. energy: 7.926 local terms energy: -419.620358 where: bonds (distance) C4'-P energy: -127.318 bonds (distance) P-C4' energy: -147.905 flat angles C4'-P-C4' energy: -108.768 flat angles P-C4'-P energy: -68.081 tors. eta vs tors. theta energy: 32.452 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: 3 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -3078.475514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.475514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.475514 (E_RNA) where: Base-Base interactions energy: -2194.279 where: short stacking energy: -898.997 Base-Backbone interact. energy: -6.493 local terms energy: -877.704084 where: bonds (distance) C4'-P energy: -163.056 bonds (distance) P-C4' energy: -170.230 flat angles C4'-P-C4' energy: -176.210 flat angles P-C4'-P energy: -130.699 tors. eta vs tors. theta energy: -237.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2844.204632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.204632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.204632 (E_RNA) where: Base-Base interactions energy: -2002.525 where: short stacking energy: -823.008 Base-Backbone interact. energy: -1.544 local terms energy: -840.135368 where: bonds (distance) C4'-P energy: -170.310 bonds (distance) P-C4' energy: -167.755 flat angles C4'-P-C4' energy: -180.579 flat angles P-C4'-P energy: -106.364 tors. eta vs tors. theta energy: -215.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2673.772946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.772946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.772946 (E_RNA) where: Base-Base interactions energy: -1845.665 where: short stacking energy: -780.167 Base-Backbone interact. energy: -2.969 local terms energy: -825.139062 where: bonds (distance) C4'-P energy: -153.350 bonds (distance) P-C4' energy: -157.087 flat angles C4'-P-C4' energy: -176.832 flat angles P-C4'-P energy: -124.705 tors. eta vs tors. theta energy: -213.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2604.003147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.003147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.003147 (E_RNA) where: Base-Base interactions energy: -1818.199 where: short stacking energy: -739.431 Base-Backbone interact. energy: -5.694 local terms energy: -780.110805 where: bonds (distance) C4'-P energy: -155.780 bonds (distance) P-C4' energy: -148.592 flat angles C4'-P-C4' energy: -156.320 flat angles P-C4'-P energy: -110.987 tors. eta vs tors. theta energy: -208.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2408.574882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.574882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.574882 (E_RNA) where: Base-Base interactions energy: -1683.270 where: short stacking energy: -701.399 Base-Backbone interact. energy: -1.830 local terms energy: -723.475761 where: bonds (distance) C4'-P energy: -129.318 bonds (distance) P-C4' energy: -133.792 flat angles C4'-P-C4' energy: -160.473 flat angles P-C4'-P energy: -112.557 tors. eta vs tors. theta energy: -187.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -2286.120193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.120193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.120193 (E_RNA) where: Base-Base interactions energy: -1543.137 where: short stacking energy: -649.794 Base-Backbone interact. energy: 4.875 local terms energy: -747.858687 where: bonds (distance) C4'-P energy: -146.490 bonds (distance) P-C4' energy: -145.849 flat angles C4'-P-C4' energy: -162.328 flat angles P-C4'-P energy: -123.677 tors. eta vs tors. theta energy: -169.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1985.216350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.216350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.216350 (E_RNA) where: Base-Base interactions energy: -1339.253 where: short stacking energy: -601.212 Base-Backbone interact. energy: 1.812 local terms energy: -647.775361 where: bonds (distance) C4'-P energy: -117.638 bonds (distance) P-C4' energy: -111.792 flat angles C4'-P-C4' energy: -160.581 flat angles P-C4'-P energy: -116.518 tors. eta vs tors. theta energy: -141.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1705.542571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.542571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.542571 (E_RNA) where: Base-Base interactions energy: -1103.448 where: short stacking energy: -483.515 Base-Backbone interact. energy: 1.980 local terms energy: -604.075127 where: bonds (distance) C4'-P energy: -160.857 bonds (distance) P-C4' energy: -154.381 flat angles C4'-P-C4' energy: -136.227 flat angles P-C4'-P energy: -65.877 tors. eta vs tors. theta energy: -86.733 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: 2 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1197.099253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.099253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.099253 (E_RNA) where: Base-Base interactions energy: -704.548 where: short stacking energy: -328.119 Base-Backbone interact. energy: -3.259 local terms energy: -489.292426 where: bonds (distance) C4'-P energy: -143.228 bonds (distance) P-C4' energy: -125.428 flat angles C4'-P-C4' energy: -119.262 flat angles P-C4'-P energy: -78.616 tors. eta vs tors. theta energy: -22.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -721.202821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.202821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.202821 (E_RNA) where: Base-Base interactions energy: -266.254 where: short stacking energy: -216.089 Base-Backbone interact. energy: 0.794 local terms energy: -455.895118 where: bonds (distance) C4'-P energy: -148.007 bonds (distance) P-C4' energy: -162.422 flat angles C4'-P-C4' energy: -115.686 flat angles P-C4'-P energy: -54.210 tors. eta vs tors. theta energy: 24.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.153 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -3083.361856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.361856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.361856 (E_RNA) where: Base-Base interactions energy: -2204.526 where: short stacking energy: -867.376 Base-Backbone interact. energy: -0.803 local terms energy: -878.033332 where: bonds (distance) C4'-P energy: -162.390 bonds (distance) P-C4' energy: -161.559 flat angles C4'-P-C4' energy: -187.282 flat angles P-C4'-P energy: -119.015 tors. eta vs tors. theta energy: -247.788 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: 387 Temperature: 0.950000 Total energy: -2859.567503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.567503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.567503 (E_RNA) where: Base-Base interactions energy: -2023.877 where: short stacking energy: -818.759 Base-Backbone interact. energy: -0.122 local terms energy: -835.568224 where: bonds (distance) C4'-P energy: -144.491 bonds (distance) P-C4' energy: -162.465 flat angles C4'-P-C4' energy: -182.619 flat angles P-C4'-P energy: -117.211 tors. eta vs tors. theta energy: -228.782 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: 1 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2673.399477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.399477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.399477 (E_RNA) where: Base-Base interactions energy: -1855.318 where: short stacking energy: -790.242 Base-Backbone interact. energy: -5.733 local terms energy: -812.348002 where: bonds (distance) C4'-P energy: -149.639 bonds (distance) P-C4' energy: -171.009 flat angles C4'-P-C4' energy: -169.274 flat angles P-C4'-P energy: -115.957 tors. eta vs tors. theta energy: -206.469 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: 7 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2589.699463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.699463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.699463 (E_RNA) where: Base-Base interactions energy: -1803.398 where: short stacking energy: -734.321 Base-Backbone interact. energy: 3.121 local terms energy: -789.422594 where: bonds (distance) C4'-P energy: -158.056 bonds (distance) P-C4' energy: -141.814 flat angles C4'-P-C4' energy: -175.090 flat angles P-C4'-P energy: -113.607 tors. eta vs tors. theta energy: -200.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2362.644166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.644166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.644166 (E_RNA) where: Base-Base interactions energy: -1650.325 where: short stacking energy: -675.156 Base-Backbone interact. energy: 7.974 local terms energy: -720.293318 where: bonds (distance) C4'-P energy: -118.440 bonds (distance) P-C4' energy: -150.744 flat angles C4'-P-C4' energy: -177.319 flat angles P-C4'-P energy: -115.449 tors. eta vs tors. theta energy: -158.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -2257.761762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.761762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.761762 (E_RNA) where: Base-Base interactions energy: -1545.538 where: short stacking energy: -634.098 Base-Backbone interact. energy: -1.837 local terms energy: -710.386741 where: bonds (distance) C4'-P energy: -126.727 bonds (distance) P-C4' energy: -140.790 flat angles C4'-P-C4' energy: -161.738 flat angles P-C4'-P energy: -111.632 tors. eta vs tors. theta energy: -169.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1917.428196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.428196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.428196 (E_RNA) where: Base-Base interactions energy: -1260.692 where: short stacking energy: -549.410 Base-Backbone interact. energy: -2.943 local terms energy: -653.792963 where: bonds (distance) C4'-P energy: -128.338 bonds (distance) P-C4' energy: -150.173 flat angles C4'-P-C4' energy: -157.484 flat angles P-C4'-P energy: -77.565 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: 8, replica: 9 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1829.978264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.978264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.978264 (E_RNA) where: Base-Base interactions energy: -1250.775 where: short stacking energy: -556.548 Base-Backbone interact. energy: -0.081 local terms energy: -579.122008 where: bonds (distance) C4'-P energy: -130.639 bonds (distance) P-C4' energy: -126.947 flat angles C4'-P-C4' energy: -128.781 flat angles P-C4'-P energy: -65.411 tors. eta vs tors. theta energy: -127.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1145.127594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.127594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.127594 (E_RNA) where: Base-Base interactions energy: -654.451 where: short stacking energy: -326.724 Base-Backbone interact. energy: -3.650 local terms energy: -487.027007 where: bonds (distance) C4'-P energy: -140.364 bonds (distance) P-C4' energy: -138.331 flat angles C4'-P-C4' energy: -110.021 flat angles P-C4'-P energy: -64.267 tors. eta vs tors. theta energy: -34.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -744.795903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.795903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.795903 (E_RNA) where: Base-Base interactions energy: -334.529 where: short stacking energy: -215.312 Base-Backbone interact. energy: -0.713 local terms energy: -409.553801 where: bonds (distance) C4'-P energy: -138.819 bonds (distance) P-C4' energy: -155.567 flat angles C4'-P-C4' energy: -86.794 flat angles P-C4'-P energy: -48.651 tors. eta vs tors. theta energy: 20.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -3099.197705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.197705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.197705 (E_RNA) where: Base-Base interactions energy: -2182.047 where: short stacking energy: -888.577 Base-Backbone interact. energy: 1.305 local terms energy: -918.455497 where: bonds (distance) C4'-P energy: -156.382 bonds (distance) P-C4' energy: -189.400 flat angles C4'-P-C4' energy: -193.944 flat angles P-C4'-P energy: -131.003 tors. eta vs tors. theta energy: -247.727 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: 5 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2857.187700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.187700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.187700 (E_RNA) where: Base-Base interactions energy: -1995.442 where: short stacking energy: -817.411 Base-Backbone interact. energy: -4.990 local terms energy: -856.755698 where: bonds (distance) C4'-P energy: -155.953 bonds (distance) P-C4' energy: -163.418 flat angles C4'-P-C4' energy: -181.304 flat angles P-C4'-P energy: -122.936 tors. eta vs tors. theta energy: -233.145 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: 1 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2644.401405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.401405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.401405 (E_RNA) where: Base-Base interactions energy: -1833.345 where: short stacking energy: -797.520 Base-Backbone interact. energy: -4.081 local terms energy: -806.974727 where: bonds (distance) C4'-P energy: -152.108 bonds (distance) P-C4' energy: -146.945 flat angles C4'-P-C4' energy: -186.854 flat angles P-C4'-P energy: -108.703 tors. eta vs tors. theta energy: -212.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2633.067392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.067392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.067392 (E_RNA) where: Base-Base interactions energy: -1848.221 where: short stacking energy: -753.685 Base-Backbone interact. energy: -5.891 local terms energy: -778.955156 where: bonds (distance) C4'-P energy: -145.974 bonds (distance) P-C4' energy: -154.382 flat angles C4'-P-C4' energy: -167.545 flat angles P-C4'-P energy: -111.173 tors. eta vs tors. theta energy: -199.880 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: 4 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2400.305882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.305882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.305882 (E_RNA) where: Base-Base interactions energy: -1648.987 where: short stacking energy: -714.798 Base-Backbone interact. energy: -0.000 local terms energy: -751.318305 where: bonds (distance) C4'-P energy: -143.003 bonds (distance) P-C4' energy: -145.578 flat angles C4'-P-C4' energy: -168.881 flat angles P-C4'-P energy: -120.942 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: 6, replica: 8 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -2241.971469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.971469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.971469 (E_RNA) where: Base-Base interactions energy: -1535.260 where: short stacking energy: -677.788 Base-Backbone interact. energy: -4.969 local terms energy: -701.743262 where: bonds (distance) C4'-P energy: -133.230 bonds (distance) P-C4' energy: -150.673 flat angles C4'-P-C4' energy: -164.755 flat angles P-C4'-P energy: -92.121 tors. eta vs tors. theta energy: -160.964 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: 388 Temperature: 1.200000 Total energy: -1903.339560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.339560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.339560 (E_RNA) where: Base-Base interactions energy: -1259.650 where: short stacking energy: -551.394 Base-Backbone interact. energy: -2.405 local terms energy: -641.283753 where: bonds (distance) C4'-P energy: -134.327 bonds (distance) P-C4' energy: -138.133 flat angles C4'-P-C4' energy: -158.773 flat angles P-C4'-P energy: -88.565 tors. eta vs tors. theta energy: -121.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1829.407272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.407272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.407272 (E_RNA) where: Base-Base interactions energy: -1219.001 where: short stacking energy: -557.274 Base-Backbone interact. energy: -2.385 local terms energy: -608.021700 where: bonds (distance) C4'-P energy: -134.118 bonds (distance) P-C4' energy: -147.787 flat angles C4'-P-C4' energy: -124.593 flat angles P-C4'-P energy: -75.976 tors. eta vs tors. theta energy: -125.546 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: 2 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1105.560066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.560066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.560066 (E_RNA) where: Base-Base interactions energy: -626.595 where: short stacking energy: -307.777 Base-Backbone interact. energy: 1.641 local terms energy: -480.605700 where: bonds (distance) C4'-P energy: -103.610 bonds (distance) P-C4' energy: -152.294 flat angles C4'-P-C4' energy: -129.749 flat angles P-C4'-P energy: -67.718 tors. eta vs tors. theta energy: -27.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -775.453675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.453675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.453675 (E_RNA) where: Base-Base interactions energy: -359.661 where: short stacking energy: -190.367 Base-Backbone interact. energy: 0.128 local terms energy: -415.920987 where: bonds (distance) C4'-P energy: -129.104 bonds (distance) P-C4' energy: -129.020 flat angles C4'-P-C4' energy: -125.235 flat angles P-C4'-P energy: -46.771 tors. eta vs tors. theta energy: 14.209 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: 1, replica: 3 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -3067.716752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.716752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.716752 (E_RNA) where: Base-Base interactions energy: -2193.052 where: short stacking energy: -863.290 Base-Backbone interact. energy: -0.442 local terms energy: -874.223362 where: bonds (distance) C4'-P energy: -146.815 bonds (distance) P-C4' energy: -160.928 flat angles C4'-P-C4' energy: -180.912 flat angles P-C4'-P energy: -145.702 tors. eta vs tors. theta energy: -239.866 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: 389 Temperature: 0.950000 Total energy: -2829.633387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.633387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.633387 (E_RNA) where: Base-Base interactions energy: -1977.754 where: short stacking energy: -822.494 Base-Backbone interact. energy: 0.089 local terms energy: -851.968410 where: bonds (distance) C4'-P energy: -161.770 bonds (distance) P-C4' energy: -165.418 flat angles C4'-P-C4' energy: -182.523 flat angles P-C4'-P energy: -119.581 tors. eta vs tors. theta energy: -222.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2662.197766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.197766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.197766 (E_RNA) where: Base-Base interactions energy: -1855.713 where: short stacking energy: -770.613 Base-Backbone interact. energy: -2.495 local terms energy: -803.990456 where: bonds (distance) C4'-P energy: -144.968 bonds (distance) P-C4' energy: -170.917 flat angles C4'-P-C4' energy: -175.233 flat angles P-C4'-P energy: -101.087 tors. eta vs tors. theta energy: -211.785 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: 7 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2641.090575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.090575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.090575 (E_RNA) where: Base-Base interactions energy: -1846.610 where: short stacking energy: -755.258 Base-Backbone interact. energy: 1.187 local terms energy: -795.668072 where: bonds (distance) C4'-P energy: -142.949 bonds (distance) P-C4' energy: -159.921 flat angles C4'-P-C4' energy: -176.123 flat angles P-C4'-P energy: -118.173 tors. eta vs tors. theta energy: -198.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2428.109344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.109344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.109344 (E_RNA) where: Base-Base interactions energy: -1657.637 where: short stacking energy: -689.620 Base-Backbone interact. energy: 0.254 local terms energy: -770.726682 where: bonds (distance) C4'-P energy: -155.868 bonds (distance) P-C4' energy: -160.236 flat angles C4'-P-C4' energy: -168.107 flat angles P-C4'-P energy: -112.148 tors. eta vs tors. theta energy: -174.367 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: 8 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -2174.457473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.457473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.457473 (E_RNA) where: Base-Base interactions energy: -1481.273 where: short stacking energy: -642.776 Base-Backbone interact. energy: -1.269 local terms energy: -691.915965 where: bonds (distance) C4'-P energy: -140.549 bonds (distance) P-C4' energy: -137.600 flat angles C4'-P-C4' energy: -153.943 flat angles P-C4'-P energy: -96.122 tors. eta vs tors. theta energy: -163.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1817.018652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.018652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.018652 (E_RNA) where: Base-Base interactions energy: -1183.816 where: short stacking energy: -543.042 Base-Backbone interact. energy: 0.428 local terms energy: -633.630090 where: bonds (distance) C4'-P energy: -148.607 bonds (distance) P-C4' energy: -146.648 flat angles C4'-P-C4' energy: -134.267 flat angles P-C4'-P energy: -80.246 tors. eta vs tors. theta energy: -123.862 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: 9 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1814.694566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.694566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.694566 (E_RNA) where: Base-Base interactions energy: -1163.028 where: short stacking energy: -523.288 Base-Backbone interact. energy: -0.150 local terms energy: -651.516036 where: bonds (distance) C4'-P energy: -144.598 bonds (distance) P-C4' energy: -153.072 flat angles C4'-P-C4' energy: -143.421 flat angles P-C4'-P energy: -86.409 tors. eta vs tors. theta energy: -124.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -1145.480495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.480495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.480495 (E_RNA) where: Base-Base interactions energy: -652.770 where: short stacking energy: -311.629 Base-Backbone interact. energy: -1.308 local terms energy: -491.402357 where: bonds (distance) C4'-P energy: -150.713 bonds (distance) P-C4' energy: -144.847 flat angles C4'-P-C4' energy: -100.273 flat angles P-C4'-P energy: -84.223 tors. eta vs tors. theta energy: -11.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -668.088390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.088390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.088390 (E_RNA) where: Base-Base interactions energy: -243.255 where: short stacking energy: -194.204 Base-Backbone interact. energy: 6.313 local terms energy: -431.146996 where: bonds (distance) C4'-P energy: -119.401 bonds (distance) P-C4' energy: -135.912 flat angles C4'-P-C4' energy: -119.284 flat angles P-C4'-P energy: -69.451 tors. eta vs tors. theta energy: 12.901 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: 3 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -3084.749572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.749572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.749572 (E_RNA) where: Base-Base interactions energy: -2169.116 where: short stacking energy: -865.954 Base-Backbone interact. energy: -2.606 local terms energy: -913.027441 where: bonds (distance) C4'-P energy: -163.871 bonds (distance) P-C4' energy: -179.502 flat angles C4'-P-C4' energy: -192.656 flat angles P-C4'-P energy: -125.689 tors. eta vs tors. theta energy: -251.310 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: 2, replica: 5 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2852.497058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.497058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.497058 (E_RNA) where: Base-Base interactions energy: -1997.974 where: short stacking energy: -822.599 Base-Backbone interact. energy: -2.872 local terms energy: -851.651933 where: bonds (distance) C4'-P energy: -144.022 bonds (distance) P-C4' energy: -167.680 flat angles C4'-P-C4' energy: -182.752 flat angles P-C4'-P energy: -132.443 tors. eta vs tors. theta energy: -224.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2717.356759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.356759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.356759 (E_RNA) where: Base-Base interactions energy: -1874.333 where: short stacking energy: -782.497 Base-Backbone interact. energy: -3.710 local terms energy: -839.313724 where: bonds (distance) C4'-P energy: -152.507 bonds (distance) P-C4' energy: -147.696 flat angles C4'-P-C4' energy: -186.156 flat angles P-C4'-P energy: -130.449 tors. eta vs tors. theta energy: -222.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2647.213318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.213318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.213318 (E_RNA) where: Base-Base interactions energy: -1866.723 where: short stacking energy: -768.418 Base-Backbone interact. energy: -3.755 local terms energy: -776.735614 where: bonds (distance) C4'-P energy: -136.341 bonds (distance) P-C4' energy: -161.435 flat angles C4'-P-C4' energy: -160.402 flat angles P-C4'-P energy: -117.611 tors. eta vs tors. theta energy: -200.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2428.431705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.431705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.431705 (E_RNA) where: Base-Base interactions energy: -1686.673 where: short stacking energy: -717.649 Base-Backbone interact. energy: 1.595 local terms energy: -743.353767 where: bonds (distance) C4'-P energy: -139.789 bonds (distance) P-C4' energy: -154.662 flat angles C4'-P-C4' energy: -166.721 flat angles P-C4'-P energy: -110.036 tors. eta vs tors. theta energy: -172.146 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: 8 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -2206.742336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.742336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.742336 (E_RNA) where: Base-Base interactions energy: -1512.295 where: short stacking energy: -606.065 Base-Backbone interact. energy: -3.603 local terms energy: -690.844003 where: bonds (distance) C4'-P energy: -140.365 bonds (distance) P-C4' energy: -157.212 flat angles C4'-P-C4' energy: -148.646 flat angles P-C4'-P energy: -104.570 tors. eta vs tors. theta energy: -140.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1836.174072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.174072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.174072 (E_RNA) where: Base-Base interactions energy: -1175.904 where: short stacking energy: -529.567 Base-Backbone interact. energy: -4.227 local terms energy: -656.042884 where: bonds (distance) C4'-P energy: -131.358 bonds (distance) P-C4' energy: -160.532 flat angles C4'-P-C4' energy: -162.303 flat angles P-C4'-P energy: -96.237 tors. eta vs tors. theta energy: -105.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1741.124077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.124077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.124077 (E_RNA) where: Base-Base interactions energy: -1118.751 where: short stacking energy: -504.218 Base-Backbone interact. energy: 6.049 local terms energy: -628.421380 where: bonds (distance) C4'-P energy: -135.410 bonds (distance) P-C4' energy: -144.873 flat angles C4'-P-C4' energy: -146.644 flat angles P-C4'-P energy: -99.108 tors. eta vs tors. theta energy: -102.386 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: 2 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -1130.801298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.801298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.801298 (E_RNA) where: Base-Base interactions energy: -645.670 where: short stacking energy: -323.250 Base-Backbone interact. energy: 1.557 local terms energy: -487.213029 where: bonds (distance) C4'-P energy: -143.758 bonds (distance) P-C4' energy: -151.953 flat angles C4'-P-C4' energy: -99.501 flat angles P-C4'-P energy: -71.143 tors. eta vs tors. theta energy: -20.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.525 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -691.059705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.059705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.059705 (E_RNA) where: Base-Base interactions energy: -287.429 where: short stacking energy: -201.647 Base-Backbone interact. energy: 5.145 local terms energy: -408.776301 where: bonds (distance) C4'-P energy: -128.998 bonds (distance) P-C4' energy: -146.440 flat angles C4'-P-C4' energy: -85.145 flat angles P-C4'-P energy: -82.178 tors. eta vs tors. theta energy: 33.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -3083.061245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.061245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.061245 (E_RNA) where: Base-Base interactions energy: -2170.703 where: short stacking energy: -854.267 Base-Backbone interact. energy: -1.102 local terms energy: -911.256091 where: bonds (distance) C4'-P energy: -168.947 bonds (distance) P-C4' energy: -173.091 flat angles C4'-P-C4' energy: -190.222 flat angles P-C4'-P energy: -139.175 tors. eta vs tors. theta energy: -239.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2855.290046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.290046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.290046 (E_RNA) where: Base-Base interactions energy: -2006.311 where: short stacking energy: -839.656 Base-Backbone interact. energy: -1.036 local terms energy: -847.942856 where: bonds (distance) C4'-P energy: -145.250 bonds (distance) P-C4' energy: -161.923 flat angles C4'-P-C4' energy: -186.914 flat angles P-C4'-P energy: -124.015 tors. eta vs tors. theta energy: -229.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2697.053371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.053371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.053371 (E_RNA) where: Base-Base interactions energy: -1863.345 where: short stacking energy: -785.071 Base-Backbone interact. energy: -4.545 local terms energy: -829.162643 where: bonds (distance) C4'-P energy: -156.566 bonds (distance) P-C4' energy: -153.396 flat angles C4'-P-C4' energy: -170.512 flat angles P-C4'-P energy: -122.213 tors. eta vs tors. theta energy: -226.475 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: 7 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2623.206046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.206046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.206046 (E_RNA) where: Base-Base interactions energy: -1838.263 where: short stacking energy: -778.734 Base-Backbone interact. energy: -1.232 local terms energy: -783.711021 where: bonds (distance) C4'-P energy: -153.535 bonds (distance) P-C4' energy: -155.360 flat angles C4'-P-C4' energy: -169.162 flat angles P-C4'-P energy: -107.800 tors. eta vs tors. theta energy: -197.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2440.943087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.943087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.943087 (E_RNA) where: Base-Base interactions energy: -1657.898 where: short stacking energy: -678.575 Base-Backbone interact. energy: -1.368 local terms energy: -781.677226 where: bonds (distance) C4'-P energy: -149.465 bonds (distance) P-C4' energy: -158.292 flat angles C4'-P-C4' energy: -160.480 flat angles P-C4'-P energy: -125.492 tors. eta vs tors. theta energy: -187.948 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: 8 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -2237.417327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.417327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.417327 (E_RNA) where: Base-Base interactions energy: -1531.214 where: short stacking energy: -643.753 Base-Backbone interact. energy: 0.120 local terms energy: -706.323375 where: bonds (distance) C4'-P energy: -160.951 bonds (distance) P-C4' energy: -144.305 flat angles C4'-P-C4' energy: -151.523 flat angles P-C4'-P energy: -94.196 tors. eta vs tors. theta energy: -155.348 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: 7, replica: 9 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1894.770095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.770095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.770095 (E_RNA) where: Base-Base interactions energy: -1274.855 where: short stacking energy: -569.761 Base-Backbone interact. energy: 1.000 local terms energy: -620.915164 where: bonds (distance) C4'-P energy: -120.933 bonds (distance) P-C4' energy: -134.666 flat angles C4'-P-C4' energy: -125.889 flat angles P-C4'-P energy: -108.609 tors. eta vs tors. theta energy: -130.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1721.113721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.113721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.113721 (E_RNA) where: Base-Base interactions energy: -1138.271 where: short stacking energy: -501.366 Base-Backbone interact. energy: 1.690 local terms energy: -584.532792 where: bonds (distance) C4'-P energy: -142.994 bonds (distance) P-C4' energy: -143.405 flat angles C4'-P-C4' energy: -134.003 flat angles P-C4'-P energy: -79.268 tors. eta vs tors. theta energy: -84.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1151.306919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.306919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.306919 (E_RNA) where: Base-Base interactions energy: -644.556 where: short stacking energy: -323.886 Base-Backbone interact. energy: 0.958 local terms energy: -507.709648 where: bonds (distance) C4'-P energy: -135.584 bonds (distance) P-C4' energy: -142.408 flat angles C4'-P-C4' energy: -127.465 flat angles P-C4'-P energy: -65.430 tors. eta vs tors. theta energy: -36.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -681.913077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.913077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.913077 (E_RNA) where: Base-Base interactions energy: -231.569 where: short stacking energy: -183.324 Base-Backbone interact. energy: 3.858 local terms energy: -454.201864 where: bonds (distance) C4'-P energy: -143.882 bonds (distance) P-C4' energy: -137.172 flat angles C4'-P-C4' energy: -128.298 flat angles P-C4'-P energy: -88.251 tors. eta vs tors. theta energy: 43.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -3073.284423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.284423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.284423 (E_RNA) where: Base-Base interactions energy: -2182.336 where: short stacking energy: -853.714 Base-Backbone interact. energy: -4.442 local terms energy: -886.507067 where: bonds (distance) C4'-P energy: -156.583 bonds (distance) P-C4' energy: -172.048 flat angles C4'-P-C4' energy: -184.851 flat angles P-C4'-P energy: -133.192 tors. eta vs tors. theta energy: -239.833 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: 392 Temperature: 0.950000 Total energy: -2805.247775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.247775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.247775 (E_RNA) where: Base-Base interactions energy: -1949.659 where: short stacking energy: -826.849 Base-Backbone interact. energy: -4.885 local terms energy: -850.704401 where: bonds (distance) C4'-P energy: -159.614 bonds (distance) P-C4' energy: -169.660 flat angles C4'-P-C4' energy: -192.683 flat angles P-C4'-P energy: -104.386 tors. eta vs tors. theta energy: -224.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2717.775535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.775535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.775535 (E_RNA) where: Base-Base interactions energy: -1885.597 where: short stacking energy: -810.520 Base-Backbone interact. energy: 2.043 local terms energy: -834.222150 where: bonds (distance) C4'-P energy: -147.670 bonds (distance) P-C4' energy: -172.844 flat angles C4'-P-C4' energy: -178.257 flat angles P-C4'-P energy: -109.375 tors. eta vs tors. theta energy: -226.076 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: 1 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2638.421754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.421754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.421754 (E_RNA) where: Base-Base interactions energy: -1847.142 where: short stacking energy: -771.178 Base-Backbone interact. energy: -2.444 local terms energy: -788.835922 where: bonds (distance) C4'-P energy: -146.523 bonds (distance) P-C4' energy: -163.273 flat angles C4'-P-C4' energy: -170.861 flat angles P-C4'-P energy: -98.692 tors. eta vs tors. theta energy: -209.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2420.346657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.346657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.346657 (E_RNA) where: Base-Base interactions energy: -1661.224 where: short stacking energy: -720.231 Base-Backbone interact. energy: -4.455 local terms energy: -754.668385 where: bonds (distance) C4'-P energy: -140.260 bonds (distance) P-C4' energy: -145.746 flat angles C4'-P-C4' energy: -170.075 flat angles P-C4'-P energy: -108.803 tors. eta vs tors. theta energy: -189.785 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: 8 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -2255.063268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.063268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.063268 (E_RNA) where: Base-Base interactions energy: -1543.809 where: short stacking energy: -671.390 Base-Backbone interact. energy: -2.905 local terms energy: -708.349033 where: bonds (distance) C4'-P energy: -125.505 bonds (distance) P-C4' energy: -150.098 flat angles C4'-P-C4' energy: -154.208 flat angles P-C4'-P energy: -105.145 tors. eta vs tors. theta energy: -173.393 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: 9 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1921.412284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.412284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.412284 (E_RNA) where: Base-Base interactions energy: -1275.653 where: short stacking energy: -559.671 Base-Backbone interact. energy: 1.781 local terms energy: -647.540244 where: bonds (distance) C4'-P energy: -125.937 bonds (distance) P-C4' energy: -146.476 flat angles C4'-P-C4' energy: -152.180 flat angles P-C4'-P energy: -92.968 tors. eta vs tors. theta energy: -129.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1647.083351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.083351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.083351 (E_RNA) where: Base-Base interactions energy: -1045.438 where: short stacking energy: -468.679 Base-Backbone interact. energy: 1.652 local terms energy: -603.297240 where: bonds (distance) C4'-P energy: -136.499 bonds (distance) P-C4' energy: -166.014 flat angles C4'-P-C4' energy: -133.331 flat angles P-C4'-P energy: -77.411 tors. eta vs tors. theta energy: -90.043 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: 9, replica: 2 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1151.102659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.102659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.102659 (E_RNA) where: Base-Base interactions energy: -649.173 where: short stacking energy: -352.727 Base-Backbone interact. energy: 0.220 local terms energy: -502.150077 where: bonds (distance) C4'-P energy: -123.907 bonds (distance) P-C4' energy: -161.239 flat angles C4'-P-C4' energy: -121.635 flat angles P-C4'-P energy: -63.220 tors. eta vs tors. theta energy: -32.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -632.778952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.778952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.778952 (E_RNA) where: Base-Base interactions energy: -228.132 where: short stacking energy: -174.396 Base-Backbone interact. energy: 4.489 local terms energy: -409.136693 where: bonds (distance) C4'-P energy: -121.510 bonds (distance) P-C4' energy: -151.977 flat angles C4'-P-C4' energy: -122.001 flat angles P-C4'-P energy: -58.205 tors. eta vs tors. theta energy: 44.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -3086.623811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.623811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.623811 (E_RNA) where: Base-Base interactions energy: -2201.307 where: short stacking energy: -871.587 Base-Backbone interact. energy: -5.061 local terms energy: -880.254976 where: bonds (distance) C4'-P energy: -162.960 bonds (distance) P-C4' energy: -175.076 flat angles C4'-P-C4' energy: -178.088 flat angles P-C4'-P energy: -126.875 tors. eta vs tors. theta energy: -237.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2844.675686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.675686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.675686 (E_RNA) where: Base-Base interactions energy: -1972.435 where: short stacking energy: -832.591 Base-Backbone interact. energy: 0.644 local terms energy: -872.884714 where: bonds (distance) C4'-P energy: -161.578 bonds (distance) P-C4' energy: -171.388 flat angles C4'-P-C4' energy: -180.741 flat angles P-C4'-P energy: -120.050 tors. eta vs tors. theta energy: -239.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2721.509462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.509462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.509462 (E_RNA) where: Base-Base interactions energy: -1917.364 where: short stacking energy: -791.109 Base-Backbone interact. energy: -1.548 local terms energy: -802.596970 where: bonds (distance) C4'-P energy: -137.725 bonds (distance) P-C4' energy: -141.287 flat angles C4'-P-C4' energy: -181.912 flat angles P-C4'-P energy: -122.940 tors. eta vs tors. theta energy: -218.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2628.502923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.502923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.502923 (E_RNA) where: Base-Base interactions energy: -1823.920 where: short stacking energy: -734.134 Base-Backbone interact. energy: -2.251 local terms energy: -802.331051 where: bonds (distance) C4'-P energy: -155.192 bonds (distance) P-C4' energy: -156.400 flat angles C4'-P-C4' energy: -182.569 flat angles P-C4'-P energy: -113.415 tors. eta vs tors. theta energy: -194.754 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: 393 Temperature: 1.100000 Total energy: -2357.695347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.695347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.695347 (E_RNA) where: Base-Base interactions energy: -1603.270 where: short stacking energy: -668.671 Base-Backbone interact. energy: -2.750 local terms energy: -751.675578 where: bonds (distance) C4'-P energy: -148.113 bonds (distance) P-C4' energy: -160.122 flat angles C4'-P-C4' energy: -158.910 flat angles P-C4'-P energy: -114.873 tors. eta vs tors. theta energy: -169.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -2170.702239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.702239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.702239 (E_RNA) where: Base-Base interactions energy: -1484.005 where: short stacking energy: -618.981 Base-Backbone interact. energy: -2.761 local terms energy: -683.936271 where: bonds (distance) C4'-P energy: -119.768 bonds (distance) P-C4' energy: -143.407 flat angles C4'-P-C4' energy: -173.859 flat angles P-C4'-P energy: -91.441 tors. eta vs tors. theta energy: -155.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1909.623449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.623449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.623449 (E_RNA) where: Base-Base interactions energy: -1248.488 where: short stacking energy: -555.257 Base-Backbone interact. energy: -3.007 local terms energy: -658.128046 where: bonds (distance) C4'-P energy: -131.661 bonds (distance) P-C4' energy: -146.294 flat angles C4'-P-C4' energy: -150.904 flat angles P-C4'-P energy: -93.869 tors. eta vs tors. theta energy: -135.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1690.061352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.061352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.061352 (E_RNA) where: Base-Base interactions energy: -1069.996 where: short stacking energy: -470.981 Base-Backbone interact. energy: 5.544 local terms energy: -626.636304 where: bonds (distance) C4'-P energy: -111.216 bonds (distance) P-C4' energy: -147.247 flat angles C4'-P-C4' energy: -162.386 flat angles P-C4'-P energy: -98.412 tors. eta vs tors. theta energy: -107.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.027 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1180.605170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.605170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.605170 (E_RNA) where: Base-Base interactions energy: -693.491 where: short stacking energy: -357.734 Base-Backbone interact. energy: -2.061 local terms energy: -485.053089 where: bonds (distance) C4'-P energy: -128.296 bonds (distance) P-C4' energy: -118.536 flat angles C4'-P-C4' energy: -141.072 flat angles P-C4'-P energy: -69.191 tors. eta vs tors. theta energy: -27.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -637.575540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.575540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.575540 (E_RNA) where: Base-Base interactions energy: -191.699 where: short stacking energy: -160.631 Base-Backbone interact. energy: 1.666 local terms energy: -447.542448 where: bonds (distance) C4'-P energy: -134.139 bonds (distance) P-C4' energy: -160.586 flat angles C4'-P-C4' energy: -118.208 flat angles P-C4'-P energy: -61.144 tors. eta vs tors. theta energy: 26.534 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: 3 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -3083.492070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.492070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.492070 (E_RNA) where: Base-Base interactions energy: -2205.836 where: short stacking energy: -888.825 Base-Backbone interact. energy: -5.267 local terms energy: -872.388654 where: bonds (distance) C4'-P energy: -147.029 bonds (distance) P-C4' energy: -181.374 flat angles C4'-P-C4' energy: -185.492 flat angles P-C4'-P energy: -121.247 tors. eta vs tors. theta energy: -237.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2834.204152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.204152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.204152 (E_RNA) where: Base-Base interactions energy: -1977.591 where: short stacking energy: -794.395 Base-Backbone interact. energy: 0.703 local terms energy: -857.315733 where: bonds (distance) C4'-P energy: -157.203 bonds (distance) P-C4' energy: -173.129 flat angles C4'-P-C4' energy: -181.316 flat angles P-C4'-P energy: -126.804 tors. eta vs tors. theta energy: -218.863 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: 7 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2747.644044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.644044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.644044 (E_RNA) where: Base-Base interactions energy: -1896.736 where: short stacking energy: -791.919 Base-Backbone interact. energy: -1.980 local terms energy: -848.928655 where: bonds (distance) C4'-P energy: -148.836 bonds (distance) P-C4' energy: -181.859 flat angles C4'-P-C4' energy: -186.804 flat angles P-C4'-P energy: -109.799 tors. eta vs tors. theta energy: -221.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2577.850894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.850894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.850894 (E_RNA) where: Base-Base interactions energy: -1818.903 where: short stacking energy: -731.542 Base-Backbone interact. energy: -0.255 local terms energy: -758.692297 where: bonds (distance) C4'-P energy: -139.311 bonds (distance) P-C4' energy: -146.093 flat angles C4'-P-C4' energy: -172.130 flat angles P-C4'-P energy: -104.244 tors. eta vs tors. theta energy: -196.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2409.321794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.321794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.321794 (E_RNA) where: Base-Base interactions energy: -1676.031 where: short stacking energy: -702.825 Base-Backbone interact. energy: -2.495 local terms energy: -730.796075 where: bonds (distance) C4'-P energy: -121.630 bonds (distance) P-C4' energy: -140.522 flat angles C4'-P-C4' energy: -171.606 flat angles P-C4'-P energy: -112.204 tors. eta vs tors. theta energy: -184.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -2244.599564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.599564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.599564 (E_RNA) where: Base-Base interactions energy: -1529.582 where: short stacking energy: -636.971 Base-Backbone interact. energy: -4.125 local terms energy: -710.892680 where: bonds (distance) C4'-P energy: -128.951 bonds (distance) P-C4' energy: -168.771 flat angles C4'-P-C4' energy: -149.177 flat angles P-C4'-P energy: -96.718 tors. eta vs tors. theta energy: -167.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1907.464246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.464246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.464246 (E_RNA) where: Base-Base interactions energy: -1258.854 where: short stacking energy: -568.447 Base-Backbone interact. energy: -1.526 local terms energy: -647.084308 where: bonds (distance) C4'-P energy: -113.208 bonds (distance) P-C4' energy: -144.908 flat angles C4'-P-C4' energy: -151.192 flat angles P-C4'-P energy: -97.461 tors. eta vs tors. theta energy: -140.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1733.269653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.269653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.269653 (E_RNA) where: Base-Base interactions energy: -1137.803 where: short stacking energy: -506.103 Base-Backbone interact. energy: 6.669 local terms energy: -602.135312 where: bonds (distance) C4'-P energy: -126.376 bonds (distance) P-C4' energy: -134.513 flat angles C4'-P-C4' energy: -146.109 flat angles P-C4'-P energy: -86.606 tors. eta vs tors. theta energy: -108.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1269.717012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.717012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.717012 (E_RNA) where: Base-Base interactions energy: -747.071 where: short stacking energy: -371.920 Base-Backbone interact. energy: 0.891 local terms energy: -523.537247 where: bonds (distance) C4'-P energy: -144.914 bonds (distance) P-C4' energy: -155.266 flat angles C4'-P-C4' energy: -110.935 flat angles P-C4'-P energy: -49.015 tors. eta vs tors. theta energy: -63.407 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: 10 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -647.980365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.980365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.980365 (E_RNA) where: Base-Base interactions energy: -254.207 where: short stacking energy: -215.793 Base-Backbone interact. energy: -0.309 local terms energy: -393.464290 where: bonds (distance) C4'-P energy: -126.223 bonds (distance) P-C4' energy: -136.709 flat angles C4'-P-C4' energy: -105.294 flat angles P-C4'-P energy: -64.322 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: 1, replica: 3 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -3077.815683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.815683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.815683 (E_RNA) where: Base-Base interactions energy: -2163.986 where: short stacking energy: -860.338 Base-Backbone interact. energy: -5.973 local terms energy: -907.856115 where: bonds (distance) C4'-P energy: -159.329 bonds (distance) P-C4' energy: -156.713 flat angles C4'-P-C4' energy: -193.283 flat angles P-C4'-P energy: -149.328 tors. eta vs tors. theta energy: -249.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2824.565621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.565621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.565621 (E_RNA) where: Base-Base interactions energy: -1979.560 where: short stacking energy: -798.191 Base-Backbone interact. energy: -5.608 local terms energy: -839.397362 where: bonds (distance) C4'-P energy: -159.433 bonds (distance) P-C4' energy: -167.772 flat angles C4'-P-C4' energy: -170.327 flat angles P-C4'-P energy: -122.436 tors. eta vs tors. theta energy: -219.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2695.449265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.449265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.449265 (E_RNA) where: Base-Base interactions energy: -1871.935 where: short stacking energy: -763.465 Base-Backbone interact. energy: -9.617 local terms energy: -813.897320 where: bonds (distance) C4'-P energy: -139.373 bonds (distance) P-C4' energy: -164.385 flat angles C4'-P-C4' energy: -173.994 flat angles P-C4'-P energy: -122.224 tors. eta vs tors. theta energy: -213.922 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: 4, replica: 1 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2657.318002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.318002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.318002 (E_RNA) where: Base-Base interactions energy: -1822.601 where: short stacking energy: -768.799 Base-Backbone interact. energy: -0.599 local terms energy: -834.117872 where: bonds (distance) C4'-P energy: -161.607 bonds (distance) P-C4' energy: -175.729 flat angles C4'-P-C4' energy: -175.191 flat angles P-C4'-P energy: -111.053 tors. eta vs tors. theta energy: -210.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2347.282432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.282432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.282432 (E_RNA) where: Base-Base interactions energy: -1611.351 where: short stacking energy: -677.585 Base-Backbone interact. energy: -4.826 local terms energy: -731.104569 where: bonds (distance) C4'-P energy: -146.810 bonds (distance) P-C4' energy: -151.644 flat angles C4'-P-C4' energy: -159.160 flat angles P-C4'-P energy: -100.471 tors. eta vs tors. theta energy: -173.019 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: 8 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -2272.987961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.987961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.987961 (E_RNA) where: Base-Base interactions energy: -1555.836 where: short stacking energy: -661.672 Base-Backbone interact. energy: -2.758 local terms energy: -714.393505 where: bonds (distance) C4'-P energy: -129.895 bonds (distance) P-C4' energy: -134.641 flat angles C4'-P-C4' energy: -151.671 flat angles P-C4'-P energy: -121.929 tors. eta vs tors. theta energy: -176.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1895.744576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.744576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.744576 (E_RNA) where: Base-Base interactions energy: -1237.747 where: short stacking energy: -564.664 Base-Backbone interact. energy: -0.682 local terms energy: -657.315759 where: bonds (distance) C4'-P energy: -157.179 bonds (distance) P-C4' energy: -133.829 flat angles C4'-P-C4' energy: -133.218 flat angles P-C4'-P energy: -106.312 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: 8, replica: 6 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1667.793127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.793127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.793127 (E_RNA) where: Base-Base interactions energy: -1076.592 where: short stacking energy: -468.833 Base-Backbone interact. energy: -4.028 local terms energy: -588.257689 where: bonds (distance) C4'-P energy: -131.881 bonds (distance) P-C4' energy: -159.224 flat angles C4'-P-C4' energy: -133.825 flat angles P-C4'-P energy: -85.574 tors. eta vs tors. theta energy: -77.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.085 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1305.682842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.682842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.682842 (E_RNA) where: Base-Base interactions energy: -797.541 where: short stacking energy: -385.733 Base-Backbone interact. energy: 1.376 local terms energy: -509.518194 where: bonds (distance) C4'-P energy: -110.700 bonds (distance) P-C4' energy: -153.781 flat angles C4'-P-C4' energy: -123.379 flat angles P-C4'-P energy: -69.660 tors. eta vs tors. theta energy: -51.998 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: 10 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -627.488063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.488063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.488063 (E_RNA) where: Base-Base interactions energy: -212.618 where: short stacking energy: -170.927 Base-Backbone interact. energy: -0.333 local terms energy: -414.536300 where: bonds (distance) C4'-P energy: -126.345 bonds (distance) P-C4' energy: -142.346 flat angles C4'-P-C4' energy: -106.194 flat angles P-C4'-P energy: -63.322 tors. eta vs tors. theta energy: 23.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -3073.480579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.480579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.480579 (E_RNA) where: Base-Base interactions energy: -2178.718 where: short stacking energy: -867.924 Base-Backbone interact. energy: -1.133 local terms energy: -893.629728 where: bonds (distance) C4'-P energy: -151.166 bonds (distance) P-C4' energy: -172.181 flat angles C4'-P-C4' energy: -194.747 flat angles P-C4'-P energy: -136.630 tors. eta vs tors. theta energy: -238.906 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: 5 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2888.696478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.696478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.696478 (E_RNA) where: Base-Base interactions energy: -2022.676 where: short stacking energy: -841.378 Base-Backbone interact. energy: -5.986 local terms energy: -860.034309 where: bonds (distance) C4'-P energy: -158.828 bonds (distance) P-C4' energy: -154.843 flat angles C4'-P-C4' energy: -189.257 flat angles P-C4'-P energy: -130.244 tors. eta vs tors. theta energy: -226.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2693.536965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.536965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.536965 (E_RNA) where: Base-Base interactions energy: -1885.998 where: short stacking energy: -792.443 Base-Backbone interact. energy: -4.054 local terms energy: -803.484862 where: bonds (distance) C4'-P energy: -149.221 bonds (distance) P-C4' energy: -159.887 flat angles C4'-P-C4' energy: -172.700 flat angles P-C4'-P energy: -107.995 tors. eta vs tors. theta energy: -213.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2695.330849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.330849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.330849 (E_RNA) where: Base-Base interactions energy: -1871.169 where: short stacking energy: -785.842 Base-Backbone interact. energy: -4.264 local terms energy: -819.897958 where: bonds (distance) C4'-P energy: -143.362 bonds (distance) P-C4' energy: -165.658 flat angles C4'-P-C4' energy: -166.667 flat angles P-C4'-P energy: -131.650 tors. eta vs tors. theta energy: -212.562 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: 4 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2355.038547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.038547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.038547 (E_RNA) where: Base-Base interactions energy: -1660.573 where: short stacking energy: -694.158 Base-Backbone interact. energy: -1.561 local terms energy: -692.905318 where: bonds (distance) C4'-P energy: -112.698 bonds (distance) P-C4' energy: -121.813 flat angles C4'-P-C4' energy: -177.669 flat angles P-C4'-P energy: -104.923 tors. eta vs tors. theta energy: -175.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -2253.371646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.371646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.371646 (E_RNA) where: Base-Base interactions energy: -1500.049 where: short stacking energy: -632.385 Base-Backbone interact. energy: 2.986 local terms energy: -756.308785 where: bonds (distance) C4'-P energy: -151.660 bonds (distance) P-C4' energy: -156.994 flat angles C4'-P-C4' energy: -147.268 flat angles P-C4'-P energy: -121.765 tors. eta vs tors. theta energy: -178.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1890.757006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.757006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.757006 (E_RNA) where: Base-Base interactions energy: -1228.856 where: short stacking energy: -586.867 Base-Backbone interact. energy: -4.451 local terms energy: -657.450153 where: bonds (distance) C4'-P energy: -136.087 bonds (distance) P-C4' energy: -145.563 flat angles C4'-P-C4' energy: -157.080 flat angles P-C4'-P energy: -94.202 tors. eta vs tors. theta energy: -124.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1716.484605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.484605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.484605 (E_RNA) where: Base-Base interactions energy: -1100.468 where: short stacking energy: -483.370 Base-Backbone interact. energy: 0.213 local terms energy: -616.229641 where: bonds (distance) C4'-P energy: -120.887 bonds (distance) P-C4' energy: -164.269 flat angles C4'-P-C4' energy: -153.274 flat angles P-C4'-P energy: -72.054 tors. eta vs tors. theta energy: -105.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1380.620371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.620371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.620371 (E_RNA) where: Base-Base interactions energy: -833.340 where: short stacking energy: -382.224 Base-Backbone interact. energy: -1.399 local terms energy: -545.881284 where: bonds (distance) C4'-P energy: -116.359 bonds (distance) P-C4' energy: -150.726 flat angles C4'-P-C4' energy: -142.856 flat angles P-C4'-P energy: -77.424 tors. eta vs tors. theta energy: -58.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -615.883749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.883749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.883749 (E_RNA) where: Base-Base interactions energy: -221.369 where: short stacking energy: -174.406 Base-Backbone interact. energy: 1.664 local terms energy: -396.178051 where: bonds (distance) C4'-P energy: -126.351 bonds (distance) P-C4' energy: -142.208 flat angles C4'-P-C4' energy: -117.575 flat angles P-C4'-P energy: -45.166 tors. eta vs tors. theta energy: 35.122 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: 397 Temperature: 0.900000 Total energy: -3086.348018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.348018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.348018 (E_RNA) where: Base-Base interactions energy: -2205.895 where: short stacking energy: -867.405 Base-Backbone interact. energy: -8.537 local terms energy: -871.916560 where: bonds (distance) C4'-P energy: -165.751 bonds (distance) P-C4' energy: -148.779 flat angles C4'-P-C4' energy: -192.693 flat angles P-C4'-P energy: -117.232 tors. eta vs tors. theta energy: -247.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2881.330043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.330043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.330043 (E_RNA) where: Base-Base interactions energy: -2002.137 where: short stacking energy: -832.959 Base-Backbone interact. energy: -5.439 local terms energy: -873.754509 where: bonds (distance) C4'-P energy: -166.907 bonds (distance) P-C4' energy: -161.271 flat angles C4'-P-C4' energy: -179.644 flat angles P-C4'-P energy: -136.807 tors. eta vs tors. theta energy: -229.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2703.600469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.600469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.600469 (E_RNA) where: Base-Base interactions energy: -1882.497 where: short stacking energy: -786.505 Base-Backbone interact. energy: -4.466 local terms energy: -816.637778 where: bonds (distance) C4'-P energy: -137.387 bonds (distance) P-C4' energy: -163.889 flat angles C4'-P-C4' energy: -177.694 flat angles P-C4'-P energy: -107.500 tors. eta vs tors. theta energy: -230.168 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: 4, replica: 1 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2645.405210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.405210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.405210 (E_RNA) where: Base-Base interactions energy: -1870.599 where: short stacking energy: -769.378 Base-Backbone interact. energy: -4.621 local terms energy: -770.184993 where: bonds (distance) C4'-P energy: -140.806 bonds (distance) P-C4' energy: -156.042 flat angles C4'-P-C4' energy: -149.580 flat angles P-C4'-P energy: -104.975 tors. eta vs tors. theta energy: -218.782 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: 4 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2419.947439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.947439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.947439 (E_RNA) where: Base-Base interactions energy: -1666.598 where: short stacking energy: -720.652 Base-Backbone interact. energy: -3.954 local terms energy: -749.396117 where: bonds (distance) C4'-P energy: -139.573 bonds (distance) P-C4' energy: -159.580 flat angles C4'-P-C4' energy: -155.540 flat angles P-C4'-P energy: -93.467 tors. eta vs tors. theta energy: -201.237 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: 8 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -2328.549314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.549314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.549314 (E_RNA) where: Base-Base interactions energy: -1596.083 where: short stacking energy: -663.403 Base-Backbone interact. energy: -3.931 local terms energy: -728.534555 where: bonds (distance) C4'-P energy: -143.069 bonds (distance) P-C4' energy: -158.167 flat angles C4'-P-C4' energy: -169.630 flat angles P-C4'-P energy: -87.769 tors. eta vs tors. theta energy: -169.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1949.144040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.144040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.144040 (E_RNA) where: Base-Base interactions energy: -1281.793 where: short stacking energy: -557.553 Base-Backbone interact. energy: -5.020 local terms energy: -662.331617 where: bonds (distance) C4'-P energy: -125.048 bonds (distance) P-C4' energy: -159.596 flat angles C4'-P-C4' energy: -152.376 flat angles P-C4'-P energy: -82.369 tors. eta vs tors. theta energy: -142.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1737.136524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.136524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.136524 (E_RNA) where: Base-Base interactions energy: -1113.908 where: short stacking energy: -482.148 Base-Backbone interact. energy: -1.771 local terms energy: -621.457180 where: bonds (distance) C4'-P energy: -141.480 bonds (distance) P-C4' energy: -151.179 flat angles C4'-P-C4' energy: -128.696 flat angles P-C4'-P energy: -101.540 tors. eta vs tors. theta energy: -98.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1386.150715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.150715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.150715 (E_RNA) where: Base-Base interactions energy: -823.038 where: short stacking energy: -368.816 Base-Backbone interact. energy: 0.851 local terms energy: -563.964463 where: bonds (distance) C4'-P energy: -117.978 bonds (distance) P-C4' energy: -165.063 flat angles C4'-P-C4' energy: -133.061 flat angles P-C4'-P energy: -85.379 tors. eta vs tors. theta energy: -62.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -613.079107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.079107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.079107 (E_RNA) where: Base-Base interactions energy: -201.269 where: short stacking energy: -142.510 Base-Backbone interact. energy: 0.453 local terms energy: -412.262634 where: bonds (distance) C4'-P energy: -139.315 bonds (distance) P-C4' energy: -134.302 flat angles C4'-P-C4' energy: -95.188 flat angles P-C4'-P energy: -73.618 tors. eta vs tors. theta energy: 30.162 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: 398 Temperature: 0.900000 Total energy: -3069.507346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.507346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.507346 (E_RNA) where: Base-Base interactions energy: -2183.938 where: short stacking energy: -865.049 Base-Backbone interact. energy: -4.780 local terms energy: -880.788843 where: bonds (distance) C4'-P energy: -145.869 bonds (distance) P-C4' energy: -177.966 flat angles C4'-P-C4' energy: -194.981 flat angles P-C4'-P energy: -111.864 tors. eta vs tors. theta energy: -250.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2851.840680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.840680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.840680 (E_RNA) where: Base-Base interactions energy: -1969.227 where: short stacking energy: -814.761 Base-Backbone interact. energy: -4.644 local terms energy: -877.969799 where: bonds (distance) C4'-P energy: -166.227 bonds (distance) P-C4' energy: -171.577 flat angles C4'-P-C4' energy: -180.130 flat angles P-C4'-P energy: -129.283 tors. eta vs tors. theta energy: -230.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2697.113063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.113063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.113063 (E_RNA) where: Base-Base interactions energy: -1908.705 where: short stacking energy: -741.566 Base-Backbone interact. energy: -2.577 local terms energy: -785.831485 where: bonds (distance) C4'-P energy: -142.316 bonds (distance) P-C4' energy: -160.686 flat angles C4'-P-C4' energy: -159.251 flat angles P-C4'-P energy: -118.307 tors. eta vs tors. theta energy: -205.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2571.624464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.624464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.624464 (E_RNA) where: Base-Base interactions energy: -1788.226 where: short stacking energy: -764.876 Base-Backbone interact. energy: 1.760 local terms energy: -785.157894 where: bonds (distance) C4'-P energy: -141.252 bonds (distance) P-C4' energy: -154.318 flat angles C4'-P-C4' energy: -179.660 flat angles P-C4'-P energy: -98.531 tors. eta vs tors. theta energy: -211.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2424.098558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.098558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.098558 (E_RNA) where: Base-Base interactions energy: -1669.087 where: short stacking energy: -704.909 Base-Backbone interact. energy: 0.902 local terms energy: -755.913329 where: bonds (distance) C4'-P energy: -130.551 bonds (distance) P-C4' energy: -160.615 flat angles C4'-P-C4' energy: -171.667 flat angles P-C4'-P energy: -115.309 tors. eta vs tors. theta energy: -177.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -2356.937971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.937971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.937971 (E_RNA) where: Base-Base interactions energy: -1603.884 where: short stacking energy: -685.978 Base-Backbone interact. energy: -4.757 local terms energy: -748.296649 where: bonds (distance) C4'-P energy: -155.432 bonds (distance) P-C4' energy: -158.993 flat angles C4'-P-C4' energy: -152.517 flat angles P-C4'-P energy: -103.125 tors. eta vs tors. theta energy: -178.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -2055.565555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.565555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.565555 (E_RNA) where: Base-Base interactions energy: -1370.854 where: short stacking energy: -618.923 Base-Backbone interact. energy: -0.033 local terms energy: -684.678789 where: bonds (distance) C4'-P energy: -126.864 bonds (distance) P-C4' energy: -149.116 flat angles C4'-P-C4' energy: -145.322 flat angles P-C4'-P energy: -112.881 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: 8, replica: 6 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1751.790737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.790737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.790737 (E_RNA) where: Base-Base interactions energy: -1151.087 where: short stacking energy: -500.781 Base-Backbone interact. energy: 2.827 local terms energy: -603.530817 where: bonds (distance) C4'-P energy: -138.628 bonds (distance) P-C4' energy: -117.808 flat angles C4'-P-C4' energy: -155.686 flat angles P-C4'-P energy: -90.258 tors. eta vs tors. theta energy: -101.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1352.603928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.603928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.603928 (E_RNA) where: Base-Base interactions energy: -807.655 where: short stacking energy: -404.257 Base-Backbone interact. energy: 3.468 local terms energy: -548.416267 where: bonds (distance) C4'-P energy: -136.530 bonds (distance) P-C4' energy: -140.161 flat angles C4'-P-C4' energy: -132.052 flat angles P-C4'-P energy: -77.847 tors. eta vs tors. theta energy: -61.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -614.752580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.752580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.752580 (E_RNA) where: Base-Base interactions energy: -196.424 where: short stacking energy: -177.305 Base-Backbone interact. energy: -2.389 local terms energy: -415.939623 where: bonds (distance) C4'-P energy: -118.400 bonds (distance) P-C4' energy: -137.916 flat angles C4'-P-C4' energy: -106.932 flat angles P-C4'-P energy: -87.963 tors. eta vs tors. theta energy: 35.272 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: 3 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -3085.940836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.940836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.940836 (E_RNA) where: Base-Base interactions energy: -2209.950 where: short stacking energy: -858.480 Base-Backbone interact. energy: -7.719 local terms energy: -868.272035 where: bonds (distance) C4'-P energy: -151.156 bonds (distance) P-C4' energy: -180.404 flat angles C4'-P-C4' energy: -181.064 flat angles P-C4'-P energy: -117.214 tors. eta vs tors. theta energy: -238.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2855.805741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.805741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.805741 (E_RNA) where: Base-Base interactions energy: -2027.681 where: short stacking energy: -850.190 Base-Backbone interact. energy: -2.970 local terms energy: -825.155598 where: bonds (distance) C4'-P energy: -162.224 bonds (distance) P-C4' energy: -144.706 flat angles C4'-P-C4' energy: -184.160 flat angles P-C4'-P energy: -106.272 tors. eta vs tors. theta energy: -227.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2676.232716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.232716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.232716 (E_RNA) where: Base-Base interactions energy: -1852.102 where: short stacking energy: -765.516 Base-Backbone interact. energy: 2.100 local terms energy: -826.230715 where: bonds (distance) C4'-P energy: -166.228 bonds (distance) P-C4' energy: -158.118 flat angles C4'-P-C4' energy: -173.426 flat angles P-C4'-P energy: -112.054 tors. eta vs tors. theta energy: -216.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2588.763119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.763119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.763119 (E_RNA) where: Base-Base interactions energy: -1775.088 where: short stacking energy: -726.193 Base-Backbone interact. energy: -3.652 local terms energy: -810.022747 where: bonds (distance) C4'-P energy: -161.110 bonds (distance) P-C4' energy: -151.195 flat angles C4'-P-C4' energy: -176.765 flat angles P-C4'-P energy: -119.369 tors. eta vs tors. theta energy: -201.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2451.256453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.256453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.256453 (E_RNA) where: Base-Base interactions energy: -1686.312 where: short stacking energy: -716.409 Base-Backbone interact. energy: -0.986 local terms energy: -763.958609 where: bonds (distance) C4'-P energy: -129.118 bonds (distance) P-C4' energy: -166.236 flat angles C4'-P-C4' energy: -163.392 flat angles P-C4'-P energy: -110.125 tors. eta vs tors. theta energy: -195.088 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: 6, replica: 8 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -2331.076022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.076022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.076022 (E_RNA) where: Base-Base interactions energy: -1614.984 where: short stacking energy: -696.720 Base-Backbone interact. energy: -0.179 local terms energy: -715.913543 where: bonds (distance) C4'-P energy: -122.297 bonds (distance) P-C4' energy: -146.323 flat angles C4'-P-C4' energy: -150.525 flat angles P-C4'-P energy: -103.052 tors. eta vs tors. theta energy: -193.716 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: 9 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1999.359265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.359265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.359265 (E_RNA) where: Base-Base interactions energy: -1333.614 where: short stacking energy: -583.115 Base-Backbone interact. energy: -0.633 local terms energy: -665.112211 where: bonds (distance) C4'-P energy: -126.546 bonds (distance) P-C4' energy: -163.399 flat angles C4'-P-C4' energy: -139.750 flat angles P-C4'-P energy: -91.953 tors. eta vs tors. theta energy: -143.464 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: 399 Temperature: 1.250000 Total energy: -1801.505654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.505654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.505654 (E_RNA) where: Base-Base interactions energy: -1180.857 where: short stacking energy: -490.766 Base-Backbone interact. energy: 3.060 local terms energy: -623.709156 where: bonds (distance) C4'-P energy: -139.328 bonds (distance) P-C4' energy: -144.460 flat angles C4'-P-C4' energy: -139.013 flat angles P-C4'-P energy: -92.588 tors. eta vs tors. theta energy: -108.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1384.281935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.281935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.281935 (E_RNA) where: Base-Base interactions energy: -848.903 where: short stacking energy: -376.872 Base-Backbone interact. energy: 0.830 local terms energy: -536.209802 where: bonds (distance) C4'-P energy: -132.038 bonds (distance) P-C4' energy: -145.164 flat angles C4'-P-C4' energy: -131.934 flat angles P-C4'-P energy: -72.330 tors. eta vs tors. theta energy: -54.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -668.645094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.645094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.645094 (E_RNA) where: Base-Base interactions energy: -249.380 where: short stacking energy: -208.287 Base-Backbone interact. energy: 2.556 local terms energy: -421.833502 where: bonds (distance) C4'-P energy: -143.049 bonds (distance) P-C4' energy: -136.698 flat angles C4'-P-C4' energy: -82.244 flat angles P-C4'-P energy: -57.287 tors. eta vs tors. theta energy: -2.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.012 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -3100.920804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.920804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.920804 (E_RNA) where: Base-Base interactions energy: -2208.804 where: short stacking energy: -861.495 Base-Backbone interact. energy: -2.258 local terms energy: -889.859230 where: bonds (distance) C4'-P energy: -168.255 bonds (distance) P-C4' energy: -170.464 flat angles C4'-P-C4' energy: -186.514 flat angles P-C4'-P energy: -131.857 tors. eta vs tors. theta energy: -232.770 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: 5 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2809.048788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.048788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.048788 (E_RNA) where: Base-Base interactions energy: -1916.923 where: short stacking energy: -814.914 Base-Backbone interact. energy: -4.557 local terms energy: -887.568877 where: bonds (distance) C4'-P energy: -160.074 bonds (distance) P-C4' energy: -165.037 flat angles C4'-P-C4' energy: -184.553 flat angles P-C4'-P energy: -135.437 tors. eta vs tors. theta energy: -242.469 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: 7 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2673.747564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.747564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.747564 (E_RNA) where: Base-Base interactions energy: -1859.790 where: short stacking energy: -787.063 Base-Backbone interact. energy: -2.604 local terms energy: -811.354388 where: bonds (distance) C4'-P energy: -153.863 bonds (distance) P-C4' energy: -150.745 flat angles C4'-P-C4' energy: -171.679 flat angles P-C4'-P energy: -111.882 tors. eta vs tors. theta energy: -223.184 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: 1 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2636.275226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.275226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.275226 (E_RNA) where: Base-Base interactions energy: -1838.498 where: short stacking energy: -769.561 Base-Backbone interact. energy: 0.214 local terms energy: -797.990846 where: bonds (distance) C4'-P energy: -134.802 bonds (distance) P-C4' energy: -155.861 flat angles C4'-P-C4' energy: -167.086 flat angles P-C4'-P energy: -123.294 tors. eta vs tors. theta energy: -216.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2377.820278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.820278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.820278 (E_RNA) where: Base-Base interactions energy: -1629.221 where: short stacking energy: -687.874 Base-Backbone interact. energy: -2.289 local terms energy: -746.310434 where: bonds (distance) C4'-P energy: -156.674 bonds (distance) P-C4' energy: -156.216 flat angles C4'-P-C4' energy: -165.935 flat angles P-C4'-P energy: -96.207 tors. eta vs tors. theta energy: -171.279 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: 8 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -2320.725423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.725423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.725423 (E_RNA) where: Base-Base interactions energy: -1587.277 where: short stacking energy: -679.415 Base-Backbone interact. energy: 2.684 local terms energy: -736.132997 where: bonds (distance) C4'-P energy: -133.782 bonds (distance) P-C4' energy: -165.671 flat angles C4'-P-C4' energy: -163.651 flat angles P-C4'-P energy: -95.999 tors. eta vs tors. theta energy: -177.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1962.372025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.372025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.372025 (E_RNA) where: Base-Base interactions energy: -1305.681 where: short stacking energy: -586.462 Base-Backbone interact. energy: -3.251 local terms energy: -653.439815 where: bonds (distance) C4'-P energy: -118.278 bonds (distance) P-C4' energy: -150.582 flat angles C4'-P-C4' energy: -153.154 flat angles P-C4'-P energy: -90.326 tors. eta vs tors. theta energy: -141.100 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: 6 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1739.561831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.561831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.561831 (E_RNA) where: Base-Base interactions energy: -1124.828 where: short stacking energy: -510.912 Base-Backbone interact. energy: -3.802 local terms energy: -610.931297 where: bonds (distance) C4'-P energy: -118.960 bonds (distance) P-C4' energy: -146.315 flat angles C4'-P-C4' energy: -141.786 flat angles P-C4'-P energy: -94.031 tors. eta vs tors. theta energy: -109.839 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: 9, replica: 2 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1385.098598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.098598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.098598 (E_RNA) where: Base-Base interactions energy: -853.513 where: short stacking energy: -391.959 Base-Backbone interact. energy: 5.101 local terms energy: -536.687047 where: bonds (distance) C4'-P energy: -124.034 bonds (distance) P-C4' energy: -164.833 flat angles C4'-P-C4' energy: -132.015 flat angles P-C4'-P energy: -62.587 tors. eta vs tors. theta energy: -53.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -650.513773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.513773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.513773 (E_RNA) where: Base-Base interactions energy: -240.216 where: short stacking energy: -195.161 Base-Backbone interact. energy: 6.503 local terms energy: -416.800813 where: bonds (distance) C4'-P energy: -129.642 bonds (distance) P-C4' energy: -149.589 flat angles C4'-P-C4' energy: -95.501 flat angles P-C4'-P energy: -66.008 tors. eta vs tors. theta energy: 23.939 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: 401 Temperature: 0.900000 Total energy: -3092.116434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.116434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.116434 (E_RNA) where: Base-Base interactions energy: -2207.919 where: short stacking energy: -854.469 Base-Backbone interact. energy: -5.460 local terms energy: -878.737954 where: bonds (distance) C4'-P energy: -160.709 bonds (distance) P-C4' energy: -174.717 flat angles C4'-P-C4' energy: -186.984 flat angles P-C4'-P energy: -121.830 tors. eta vs tors. theta energy: -234.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2846.259509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.259509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.259509 (E_RNA) where: Base-Base interactions energy: -1976.400 where: short stacking energy: -804.211 Base-Backbone interact. energy: -5.432 local terms energy: -864.427643 where: bonds (distance) C4'-P energy: -158.544 bonds (distance) P-C4' energy: -163.727 flat angles C4'-P-C4' energy: -184.457 flat angles P-C4'-P energy: -124.585 tors. eta vs tors. theta energy: -233.114 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: 7 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2720.026482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.026482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.026482 (E_RNA) where: Base-Base interactions energy: -1885.291 where: short stacking energy: -788.495 Base-Backbone interact. energy: -5.193 local terms energy: -829.541915 where: bonds (distance) C4'-P energy: -146.467 bonds (distance) P-C4' energy: -177.713 flat angles C4'-P-C4' energy: -189.232 flat angles P-C4'-P energy: -120.008 tors. eta vs tors. theta energy: -196.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2658.224061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.224061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.224061 (E_RNA) where: Base-Base interactions energy: -1869.789 where: short stacking energy: -762.565 Base-Backbone interact. energy: -5.827 local terms energy: -782.608840 where: bonds (distance) C4'-P energy: -154.681 bonds (distance) P-C4' energy: -150.170 flat angles C4'-P-C4' energy: -170.613 flat angles P-C4'-P energy: -112.734 tors. eta vs tors. theta energy: -194.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2411.993100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.993100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.993100 (E_RNA) where: Base-Base interactions energy: -1685.977 where: short stacking energy: -691.774 Base-Backbone interact. energy: -0.796 local terms energy: -725.219728 where: bonds (distance) C4'-P energy: -141.986 bonds (distance) P-C4' energy: -151.247 flat angles C4'-P-C4' energy: -167.026 flat angles P-C4'-P energy: -88.933 tors. eta vs tors. theta energy: -176.028 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: 8 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -2337.784257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.784257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.784257 (E_RNA) where: Base-Base interactions energy: -1599.551 where: short stacking energy: -673.091 Base-Backbone interact. energy: -2.572 local terms energy: -735.661597 where: bonds (distance) C4'-P energy: -135.724 bonds (distance) P-C4' energy: -150.319 flat angles C4'-P-C4' energy: -168.145 flat angles P-C4'-P energy: -104.404 tors. eta vs tors. theta energy: -177.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1986.558175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.558175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.558175 (E_RNA) where: Base-Base interactions energy: -1342.629 where: short stacking energy: -572.971 Base-Backbone interact. energy: -0.184 local terms energy: -643.744829 where: bonds (distance) C4'-P energy: -126.207 bonds (distance) P-C4' energy: -138.776 flat angles C4'-P-C4' energy: -155.167 flat angles P-C4'-P energy: -95.240 tors. eta vs tors. theta energy: -128.354 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: 6 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1703.682248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.682248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.682248 (E_RNA) where: Base-Base interactions energy: -1106.092 where: short stacking energy: -512.099 Base-Backbone interact. energy: -1.623 local terms energy: -595.967469 where: bonds (distance) C4'-P energy: -129.894 bonds (distance) P-C4' energy: -145.826 flat angles C4'-P-C4' energy: -138.428 flat angles P-C4'-P energy: -79.866 tors. eta vs tors. theta energy: -101.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1371.152209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.152209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.152209 (E_RNA) where: Base-Base interactions energy: -846.732 where: short stacking energy: -382.539 Base-Backbone interact. energy: 0.443 local terms energy: -524.862728 where: bonds (distance) C4'-P energy: -132.502 bonds (distance) P-C4' energy: -127.680 flat angles C4'-P-C4' energy: -143.401 flat angles P-C4'-P energy: -74.209 tors. eta vs tors. theta energy: -47.071 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: 10 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -608.895938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.895938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.895938 (E_RNA) where: Base-Base interactions energy: -238.520 where: short stacking energy: -204.146 Base-Backbone interact. energy: -1.247 local terms energy: -369.129344 where: bonds (distance) C4'-P energy: -128.448 bonds (distance) P-C4' energy: -120.436 flat angles C4'-P-C4' energy: -116.672 flat angles P-C4'-P energy: -27.482 tors. eta vs tors. theta energy: 23.908 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: 1, replica: 3 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -3103.131982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.131982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.131982 (E_RNA) where: Base-Base interactions energy: -2229.092 where: short stacking energy: -861.396 Base-Backbone interact. energy: -1.331 local terms energy: -872.708754 where: bonds (distance) C4'-P energy: -150.444 bonds (distance) P-C4' energy: -172.695 flat angles C4'-P-C4' energy: -172.779 flat angles P-C4'-P energy: -133.050 tors. eta vs tors. theta energy: -243.740 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: 2, replica: 5 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2842.146099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.146099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.146099 (E_RNA) where: Base-Base interactions energy: -1973.483 where: short stacking energy: -839.940 Base-Backbone interact. energy: -1.524 local terms energy: -867.139767 where: bonds (distance) C4'-P energy: -159.850 bonds (distance) P-C4' energy: -158.481 flat angles C4'-P-C4' energy: -188.930 flat angles P-C4'-P energy: -126.184 tors. eta vs tors. theta energy: -233.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2690.278803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.278803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.278803 (E_RNA) where: Base-Base interactions energy: -1885.103 where: short stacking energy: -765.448 Base-Backbone interact. energy: -2.741 local terms energy: -802.435543 where: bonds (distance) C4'-P energy: -147.185 bonds (distance) P-C4' energy: -165.010 flat angles C4'-P-C4' energy: -171.788 flat angles P-C4'-P energy: -116.880 tors. eta vs tors. theta energy: -201.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2661.137421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.137421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.137421 (E_RNA) where: Base-Base interactions energy: -1885.715 where: short stacking energy: -784.972 Base-Backbone interact. energy: -0.988 local terms energy: -774.433468 where: bonds (distance) C4'-P energy: -145.305 bonds (distance) P-C4' energy: -143.684 flat angles C4'-P-C4' energy: -168.541 flat angles P-C4'-P energy: -107.169 tors. eta vs tors. theta energy: -209.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2404.427134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.427134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.427134 (E_RNA) where: Base-Base interactions energy: -1637.155 where: short stacking energy: -721.511 Base-Backbone interact. energy: -1.952 local terms energy: -765.320864 where: bonds (distance) C4'-P energy: -128.165 bonds (distance) P-C4' energy: -166.230 flat angles C4'-P-C4' energy: -164.825 flat angles P-C4'-P energy: -115.350 tors. eta vs tors. theta energy: -190.752 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: 8 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -2291.976191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.976191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.976191 (E_RNA) where: Base-Base interactions energy: -1627.740 where: short stacking energy: -672.474 Base-Backbone interact. energy: 2.842 local terms energy: -667.077671 where: bonds (distance) C4'-P energy: -107.422 bonds (distance) P-C4' energy: -131.213 flat angles C4'-P-C4' energy: -161.977 flat angles P-C4'-P energy: -93.538 tors. eta vs tors. theta energy: -172.927 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: 7, replica: 9 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1916.890634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.890634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.890634 (E_RNA) where: Base-Base interactions energy: -1257.189 where: short stacking energy: -527.013 Base-Backbone interact. energy: 0.340 local terms energy: -660.042338 where: bonds (distance) C4'-P energy: -152.896 bonds (distance) P-C4' energy: -138.872 flat angles C4'-P-C4' energy: -154.689 flat angles P-C4'-P energy: -94.586 tors. eta vs tors. theta energy: -118.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1708.796233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.796233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.796233 (E_RNA) where: Base-Base interactions energy: -1114.387 where: short stacking energy: -495.138 Base-Backbone interact. energy: 0.438 local terms energy: -594.847011 where: bonds (distance) C4'-P energy: -141.710 bonds (distance) P-C4' energy: -126.152 flat angles C4'-P-C4' energy: -130.448 flat angles P-C4'-P energy: -88.809 tors. eta vs tors. theta energy: -107.729 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: 9, replica: 2 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1371.457821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.457821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.457821 (E_RNA) where: Base-Base interactions energy: -850.616 where: short stacking energy: -388.930 Base-Backbone interact. energy: -3.466 local terms energy: -517.375586 where: bonds (distance) C4'-P energy: -121.104 bonds (distance) P-C4' energy: -140.395 flat angles C4'-P-C4' energy: -140.483 flat angles P-C4'-P energy: -62.411 tors. eta vs tors. theta energy: -52.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -611.247978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.247978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.247978 (E_RNA) where: Base-Base interactions energy: -207.495 where: short stacking energy: -156.090 Base-Backbone interact. energy: 1.943 local terms energy: -405.695704 where: bonds (distance) C4'-P energy: -137.481 bonds (distance) P-C4' energy: -144.533 flat angles C4'-P-C4' energy: -119.171 flat angles P-C4'-P energy: -48.455 tors. eta vs tors. theta energy: 43.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -3085.347238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.347238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.347238 (E_RNA) where: Base-Base interactions energy: -2197.803 where: short stacking energy: -875.311 Base-Backbone interact. energy: -5.449 local terms energy: -882.094899 where: bonds (distance) C4'-P energy: -143.567 bonds (distance) P-C4' energy: -175.665 flat angles C4'-P-C4' energy: -189.996 flat angles P-C4'-P energy: -128.667 tors. eta vs tors. theta energy: -244.201 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: 403 Temperature: 0.950000 Total energy: -2827.818883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.818883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.818883 (E_RNA) where: Base-Base interactions energy: -1961.676 where: short stacking energy: -819.946 Base-Backbone interact. energy: -2.845 local terms energy: -863.297826 where: bonds (distance) C4'-P energy: -158.235 bonds (distance) P-C4' energy: -166.052 flat angles C4'-P-C4' energy: -181.180 flat angles P-C4'-P energy: -125.813 tors. eta vs tors. theta energy: -232.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2682.387635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.387635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.387635 (E_RNA) where: Base-Base interactions energy: -1841.172 where: short stacking energy: -777.123 Base-Backbone interact. energy: -3.720 local terms energy: -837.495724 where: bonds (distance) C4'-P energy: -157.654 bonds (distance) P-C4' energy: -149.693 flat angles C4'-P-C4' energy: -188.840 flat angles P-C4'-P energy: -125.407 tors. eta vs tors. theta energy: -215.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2607.800518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.800518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.800518 (E_RNA) where: Base-Base interactions energy: -1826.903 where: short stacking energy: -776.251 Base-Backbone interact. energy: -1.253 local terms energy: -779.644329 where: bonds (distance) C4'-P energy: -132.505 bonds (distance) P-C4' energy: -153.857 flat angles C4'-P-C4' energy: -180.880 flat angles P-C4'-P energy: -109.341 tors. eta vs tors. theta energy: -203.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2434.073339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.073339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.073339 (E_RNA) where: Base-Base interactions energy: -1667.990 where: short stacking energy: -716.090 Base-Backbone interact. energy: 0.391 local terms energy: -766.474641 where: bonds (distance) C4'-P energy: -145.820 bonds (distance) P-C4' energy: -170.351 flat angles C4'-P-C4' energy: -160.361 flat angles P-C4'-P energy: -104.303 tors. eta vs tors. theta energy: -185.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -2370.161684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.161684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.161684 (E_RNA) where: Base-Base interactions energy: -1637.866 where: short stacking energy: -707.874 Base-Backbone interact. energy: -1.263 local terms energy: -731.033035 where: bonds (distance) C4'-P energy: -144.645 bonds (distance) P-C4' energy: -121.771 flat angles C4'-P-C4' energy: -151.986 flat angles P-C4'-P energy: -105.263 tors. eta vs tors. theta energy: -207.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1974.526600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.526600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.526600 (E_RNA) where: Base-Base interactions energy: -1307.893 where: short stacking energy: -581.833 Base-Backbone interact. energy: -2.881 local terms energy: -663.752881 where: bonds (distance) C4'-P energy: -132.976 bonds (distance) P-C4' energy: -140.159 flat angles C4'-P-C4' energy: -148.329 flat angles P-C4'-P energy: -90.378 tors. eta vs tors. theta energy: -151.911 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: 6 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1675.186433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.186433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.186433 (E_RNA) where: Base-Base interactions energy: -1101.646 where: short stacking energy: -488.500 Base-Backbone interact. energy: -0.963 local terms energy: -572.577480 where: bonds (distance) C4'-P energy: -130.097 bonds (distance) P-C4' energy: -147.413 flat angles C4'-P-C4' energy: -137.795 flat angles P-C4'-P energy: -80.686 tors. eta vs tors. theta energy: -76.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1433.279560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.279560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.279560 (E_RNA) where: Base-Base interactions energy: -857.721 where: short stacking energy: -421.280 Base-Backbone interact. energy: -3.414 local terms energy: -572.144475 where: bonds (distance) C4'-P energy: -136.487 bonds (distance) P-C4' energy: -153.273 flat angles C4'-P-C4' energy: -132.981 flat angles P-C4'-P energy: -78.327 tors. eta vs tors. theta energy: -71.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -645.545989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.545989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.545989 (E_RNA) where: Base-Base interactions energy: -267.947 where: short stacking energy: -217.011 Base-Backbone interact. energy: -3.107 local terms energy: -374.491868 where: bonds (distance) C4'-P energy: -109.659 bonds (distance) P-C4' energy: -136.972 flat angles C4'-P-C4' energy: -93.836 flat angles P-C4'-P energy: -66.132 tors. eta vs tors. theta energy: 32.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -3071.161398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.161398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.161398 (E_RNA) where: Base-Base interactions energy: -2176.329 where: short stacking energy: -845.407 Base-Backbone interact. energy: -7.423 local terms energy: -887.409711 where: bonds (distance) C4'-P energy: -170.155 bonds (distance) P-C4' energy: -165.363 flat angles C4'-P-C4' energy: -188.267 flat angles P-C4'-P energy: -125.727 tors. eta vs tors. theta energy: -237.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2883.400408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.400408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.400408 (E_RNA) where: Base-Base interactions energy: -1995.601 where: short stacking energy: -830.210 Base-Backbone interact. energy: -5.681 local terms energy: -882.118497 where: bonds (distance) C4'-P energy: -165.903 bonds (distance) P-C4' energy: -156.885 flat angles C4'-P-C4' energy: -183.031 flat angles P-C4'-P energy: -136.373 tors. eta vs tors. theta energy: -239.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2655.138303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.138303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.138303 (E_RNA) where: Base-Base interactions energy: -1833.936 where: short stacking energy: -769.110 Base-Backbone interact. energy: -2.089 local terms energy: -819.113937 where: bonds (distance) C4'-P energy: -162.634 bonds (distance) P-C4' energy: -153.877 flat angles C4'-P-C4' energy: -164.127 flat angles P-C4'-P energy: -127.977 tors. eta vs tors. theta energy: -210.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2628.356286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.356286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.356286 (E_RNA) where: Base-Base interactions energy: -1795.395 where: short stacking energy: -741.902 Base-Backbone interact. energy: 2.488 local terms energy: -835.450012 where: bonds (distance) C4'-P energy: -164.360 bonds (distance) P-C4' energy: -166.271 flat angles C4'-P-C4' energy: -177.254 flat angles P-C4'-P energy: -123.880 tors. eta vs tors. theta energy: -203.686 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: 5, replica: 4 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2434.419331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.419331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.419331 (E_RNA) where: Base-Base interactions energy: -1683.024 where: short stacking energy: -739.835 Base-Backbone interact. energy: -4.428 local terms energy: -746.967834 where: bonds (distance) C4'-P energy: -136.951 bonds (distance) P-C4' energy: -129.932 flat angles C4'-P-C4' energy: -161.594 flat angles P-C4'-P energy: -122.121 tors. eta vs tors. theta energy: -196.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -2364.868627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.868627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.868627 (E_RNA) where: Base-Base interactions energy: -1623.913 where: short stacking energy: -698.066 Base-Backbone interact. energy: -4.156 local terms energy: -736.799684 where: bonds (distance) C4'-P energy: -132.397 bonds (distance) P-C4' energy: -155.018 flat angles C4'-P-C4' energy: -160.839 flat angles P-C4'-P energy: -104.777 tors. eta vs tors. theta energy: -183.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1960.261049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.261049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.261049 (E_RNA) where: Base-Base interactions energy: -1313.198 where: short stacking energy: -592.047 Base-Backbone interact. energy: -0.770 local terms energy: -646.293508 where: bonds (distance) C4'-P energy: -145.496 bonds (distance) P-C4' energy: -130.247 flat angles C4'-P-C4' energy: -149.394 flat angles P-C4'-P energy: -88.284 tors. eta vs tors. theta energy: -132.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1709.626021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.626021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.626021 (E_RNA) where: Base-Base interactions energy: -1100.902 where: short stacking energy: -501.966 Base-Backbone interact. energy: -0.126 local terms energy: -609.121724 where: bonds (distance) C4'-P energy: -145.135 bonds (distance) P-C4' energy: -148.829 flat angles C4'-P-C4' energy: -135.164 flat angles P-C4'-P energy: -77.333 tors. eta vs tors. theta energy: -102.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.523 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1360.202524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.202524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.202524 (E_RNA) where: Base-Base interactions energy: -849.417 where: short stacking energy: -398.263 Base-Backbone interact. energy: 3.171 local terms energy: -513.956831 where: bonds (distance) C4'-P energy: -124.285 bonds (distance) P-C4' energy: -149.578 flat angles C4'-P-C4' energy: -117.109 flat angles P-C4'-P energy: -67.714 tors. eta vs tors. theta energy: -55.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -641.488405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.488405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.488405 (E_RNA) where: Base-Base interactions energy: -204.112 where: short stacking energy: -162.549 Base-Backbone interact. energy: 3.297 local terms energy: -440.673074 where: bonds (distance) C4'-P energy: -130.094 bonds (distance) P-C4' energy: -148.700 flat angles C4'-P-C4' energy: -127.540 flat angles P-C4'-P energy: -73.443 tors. eta vs tors. theta energy: 39.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -3084.945419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.945419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.945419 (E_RNA) where: Base-Base interactions energy: -2209.808 where: short stacking energy: -865.882 Base-Backbone interact. energy: -9.702 local terms energy: -865.435980 where: bonds (distance) C4'-P energy: -141.986 bonds (distance) P-C4' energy: -172.989 flat angles C4'-P-C4' energy: -180.236 flat angles P-C4'-P energy: -122.227 tors. eta vs tors. theta energy: -247.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2833.824460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.824460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.824460 (E_RNA) where: Base-Base interactions energy: -1981.569 where: short stacking energy: -817.910 Base-Backbone interact. energy: -4.755 local terms energy: -847.500885 where: bonds (distance) C4'-P energy: -148.494 bonds (distance) P-C4' energy: -168.242 flat angles C4'-P-C4' energy: -182.965 flat angles P-C4'-P energy: -112.609 tors. eta vs tors. theta energy: -235.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2688.333413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.333413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.333413 (E_RNA) where: Base-Base interactions energy: -1867.139 where: short stacking energy: -772.683 Base-Backbone interact. energy: -4.397 local terms energy: -816.797553 where: bonds (distance) C4'-P energy: -139.081 bonds (distance) P-C4' energy: -170.327 flat angles C4'-P-C4' energy: -165.194 flat angles P-C4'-P energy: -125.130 tors. eta vs tors. theta energy: -217.065 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: 4, replica: 1 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2643.677993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.677993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.677993 (E_RNA) where: Base-Base interactions energy: -1831.199 where: short stacking energy: -770.347 Base-Backbone interact. energy: 1.209 local terms energy: -813.688263 where: bonds (distance) C4'-P energy: -152.617 bonds (distance) P-C4' energy: -160.264 flat angles C4'-P-C4' energy: -176.367 flat angles P-C4'-P energy: -113.310 tors. eta vs tors. theta energy: -211.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2428.561105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.561105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.561105 (E_RNA) where: Base-Base interactions energy: -1660.124 where: short stacking energy: -718.942 Base-Backbone interact. energy: -3.839 local terms energy: -764.598129 where: bonds (distance) C4'-P energy: -146.053 bonds (distance) P-C4' energy: -177.026 flat angles C4'-P-C4' energy: -167.357 flat angles P-C4'-P energy: -90.020 tors. eta vs tors. theta energy: -184.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -2333.066336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.066336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.066336 (E_RNA) where: Base-Base interactions energy: -1611.283 where: short stacking energy: -716.478 Base-Backbone interact. energy: -3.540 local terms energy: -718.242914 where: bonds (distance) C4'-P energy: -127.643 bonds (distance) P-C4' energy: -138.456 flat angles C4'-P-C4' energy: -168.527 flat angles P-C4'-P energy: -106.350 tors. eta vs tors. theta energy: -177.267 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: 9 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1993.782397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.782397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.782397 (E_RNA) where: Base-Base interactions energy: -1318.006 where: short stacking energy: -591.671 Base-Backbone interact. energy: -5.356 local terms energy: -670.420077 where: bonds (distance) C4'-P energy: -130.276 bonds (distance) P-C4' energy: -142.822 flat angles C4'-P-C4' energy: -164.808 flat angles P-C4'-P energy: -97.478 tors. eta vs tors. theta energy: -135.036 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: 6 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1715.257602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.257602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.257602 (E_RNA) where: Base-Base interactions energy: -1111.729 where: short stacking energy: -489.058 Base-Backbone interact. energy: -0.430 local terms energy: -603.097857 where: bonds (distance) C4'-P energy: -141.386 bonds (distance) P-C4' energy: -164.966 flat angles C4'-P-C4' energy: -135.478 flat angles P-C4'-P energy: -76.195 tors. eta vs tors. theta energy: -85.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1325.147033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.147033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.147033 (E_RNA) where: Base-Base interactions energy: -827.232 where: short stacking energy: -371.450 Base-Backbone interact. energy: 1.627 local terms energy: -499.542484 where: bonds (distance) C4'-P energy: -141.940 bonds (distance) P-C4' energy: -123.849 flat angles C4'-P-C4' energy: -123.882 flat angles P-C4'-P energy: -63.518 tors. eta vs tors. theta energy: -46.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -649.575944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.575944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.575944 (E_RNA) where: Base-Base interactions energy: -246.215 where: short stacking energy: -196.680 Base-Backbone interact. energy: 5.203 local terms energy: -408.564300 where: bonds (distance) C4'-P energy: -127.331 bonds (distance) P-C4' energy: -143.905 flat angles C4'-P-C4' energy: -87.135 flat angles P-C4'-P energy: -87.591 tors. eta vs tors. theta energy: 37.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -3065.169696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.169696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.169696 (E_RNA) where: Base-Base interactions energy: -2160.008 where: short stacking energy: -847.857 Base-Backbone interact. energy: -2.251 local terms energy: -902.910520 where: bonds (distance) C4'-P energy: -154.430 bonds (distance) P-C4' energy: -189.100 flat angles C4'-P-C4' energy: -193.318 flat angles P-C4'-P energy: -123.654 tors. eta vs tors. theta energy: -242.408 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: 2, replica: 5 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2840.107639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.107639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.107639 (E_RNA) where: Base-Base interactions energy: -1963.407 where: short stacking energy: -844.975 Base-Backbone interact. energy: -7.169 local terms energy: -869.531811 where: bonds (distance) C4'-P energy: -167.029 bonds (distance) P-C4' energy: -173.212 flat angles C4'-P-C4' energy: -175.653 flat angles P-C4'-P energy: -109.041 tors. eta vs tors. theta energy: -244.599 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: 7 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2659.323523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.323523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.323523 (E_RNA) where: Base-Base interactions energy: -1858.949 where: short stacking energy: -757.471 Base-Backbone interact. energy: -0.637 local terms energy: -799.737288 where: bonds (distance) C4'-P energy: -150.419 bonds (distance) P-C4' energy: -157.070 flat angles C4'-P-C4' energy: -165.010 flat angles P-C4'-P energy: -120.234 tors. eta vs tors. theta energy: -207.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2669.053411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.053411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.053411 (E_RNA) where: Base-Base interactions energy: -1854.140 where: short stacking energy: -786.674 Base-Backbone interact. energy: -1.403 local terms energy: -813.510948 where: bonds (distance) C4'-P energy: -134.768 bonds (distance) P-C4' energy: -170.685 flat angles C4'-P-C4' energy: -180.369 flat angles P-C4'-P energy: -96.006 tors. eta vs tors. theta energy: -231.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2416.933897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.933897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.933897 (E_RNA) where: Base-Base interactions energy: -1615.512 where: short stacking energy: -690.432 Base-Backbone interact. energy: -1.347 local terms energy: -800.074577 where: bonds (distance) C4'-P energy: -155.893 bonds (distance) P-C4' energy: -155.678 flat angles C4'-P-C4' energy: -170.848 flat angles P-C4'-P energy: -121.469 tors. eta vs tors. theta energy: -196.186 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: 406 Temperature: 1.150000 Total energy: -2319.368063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.368063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.368063 (E_RNA) where: Base-Base interactions energy: -1613.429 where: short stacking energy: -692.803 Base-Backbone interact. energy: -1.826 local terms energy: -704.113290 where: bonds (distance) C4'-P energy: -146.769 bonds (distance) P-C4' energy: -128.613 flat angles C4'-P-C4' energy: -146.839 flat angles P-C4'-P energy: -98.534 tors. eta vs tors. theta energy: -183.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -2035.863654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.863654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.863654 (E_RNA) where: Base-Base interactions energy: -1366.637 where: short stacking energy: -605.501 Base-Backbone interact. energy: -3.060 local terms energy: -666.166706 where: bonds (distance) C4'-P energy: -133.134 bonds (distance) P-C4' energy: -149.423 flat angles C4'-P-C4' energy: -161.872 flat angles P-C4'-P energy: -90.895 tors. eta vs tors. theta energy: -130.843 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: 6 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1704.283057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.283057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.283057 (E_RNA) where: Base-Base interactions energy: -1120.310 where: short stacking energy: -468.442 Base-Backbone interact. energy: -0.891 local terms energy: -583.082216 where: bonds (distance) C4'-P energy: -117.614 bonds (distance) P-C4' energy: -133.713 flat angles C4'-P-C4' energy: -129.016 flat angles P-C4'-P energy: -109.828 tors. eta vs tors. theta energy: -92.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1353.260811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.260811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.260811 (E_RNA) where: Base-Base interactions energy: -827.957 where: short stacking energy: -388.931 Base-Backbone interact. energy: 7.677 local terms energy: -532.980669 where: bonds (distance) C4'-P energy: -121.786 bonds (distance) P-C4' energy: -142.901 flat angles C4'-P-C4' energy: -132.483 flat angles P-C4'-P energy: -79.806 tors. eta vs tors. theta energy: -56.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -646.258599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.258599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.258599 (E_RNA) where: Base-Base interactions energy: -207.450 where: short stacking energy: -170.016 Base-Backbone interact. energy: 2.712 local terms energy: -441.520729 where: bonds (distance) C4'-P energy: -134.494 bonds (distance) P-C4' energy: -144.464 flat angles C4'-P-C4' energy: -116.044 flat angles P-C4'-P energy: -72.043 tors. eta vs tors. theta energy: 25.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -3119.442020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3119.442020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3119.442020 (E_RNA) where: Base-Base interactions energy: -2215.456 where: short stacking energy: -880.800 Base-Backbone interact. energy: -7.617 local terms energy: -896.369463 where: bonds (distance) C4'-P energy: -162.221 bonds (distance) P-C4' energy: -171.148 flat angles C4'-P-C4' energy: -187.377 flat angles P-C4'-P energy: -127.559 tors. eta vs tors. theta energy: -248.064 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: 5 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2877.713882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.713882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.713882 (E_RNA) where: Base-Base interactions energy: -1983.947 where: short stacking energy: -842.475 Base-Backbone interact. energy: -5.370 local terms energy: -888.397062 where: bonds (distance) C4'-P energy: -170.962 bonds (distance) P-C4' energy: -177.789 flat angles C4'-P-C4' energy: -180.369 flat angles P-C4'-P energy: -120.155 tors. eta vs tors. theta energy: -239.122 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: 3, replica: 7 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2652.748424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.748424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.748424 (E_RNA) where: Base-Base interactions energy: -1831.342 where: short stacking energy: -754.817 Base-Backbone interact. energy: -6.856 local terms energy: -814.550619 where: bonds (distance) C4'-P energy: -155.138 bonds (distance) P-C4' energy: -174.832 flat angles C4'-P-C4' energy: -165.326 flat angles P-C4'-P energy: -114.150 tors. eta vs tors. theta energy: -205.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2610.948111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.948111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.948111 (E_RNA) where: Base-Base interactions energy: -1812.864 where: short stacking energy: -759.627 Base-Backbone interact. energy: -4.181 local terms energy: -793.903179 where: bonds (distance) C4'-P energy: -121.514 bonds (distance) P-C4' energy: -151.389 flat angles C4'-P-C4' energy: -183.093 flat angles P-C4'-P energy: -116.337 tors. eta vs tors. theta energy: -221.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2445.151251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.151251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.151251 (E_RNA) where: Base-Base interactions energy: -1679.419 where: short stacking energy: -727.921 Base-Backbone interact. energy: 0.403 local terms energy: -766.135511 where: bonds (distance) C4'-P energy: -134.945 bonds (distance) P-C4' energy: -143.852 flat angles C4'-P-C4' energy: -176.840 flat angles P-C4'-P energy: -115.848 tors. eta vs tors. theta energy: -194.650 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: 4 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -2307.803536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.803536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.803536 (E_RNA) where: Base-Base interactions energy: -1588.133 where: short stacking energy: -653.259 Base-Backbone interact. energy: -4.215 local terms energy: -715.455831 where: bonds (distance) C4'-P energy: -151.793 bonds (distance) P-C4' energy: -143.391 flat angles C4'-P-C4' energy: -157.142 flat angles P-C4'-P energy: -104.509 tors. eta vs tors. theta energy: -158.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -2019.806461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.806461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.806461 (E_RNA) where: Base-Base interactions energy: -1371.236 where: short stacking energy: -601.901 Base-Backbone interact. energy: -3.072 local terms energy: -645.498462 where: bonds (distance) C4'-P energy: -131.528 bonds (distance) P-C4' energy: -135.441 flat angles C4'-P-C4' energy: -152.466 flat angles P-C4'-P energy: -79.848 tors. eta vs tors. theta energy: -146.216 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: 8, replica: 6 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1708.071847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.071847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.071847 (E_RNA) where: Base-Base interactions energy: -1117.343 where: short stacking energy: -481.606 Base-Backbone interact. energy: -1.609 local terms energy: -589.119762 where: bonds (distance) C4'-P energy: -122.211 bonds (distance) P-C4' energy: -152.384 flat angles C4'-P-C4' energy: -120.583 flat angles P-C4'-P energy: -90.423 tors. eta vs tors. theta energy: -103.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1247.846455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.846455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.846455 (E_RNA) where: Base-Base interactions energy: -749.679 where: short stacking energy: -365.372 Base-Backbone interact. energy: -0.048 local terms energy: -498.119696 where: bonds (distance) C4'-P energy: -136.509 bonds (distance) P-C4' energy: -149.493 flat angles C4'-P-C4' energy: -121.656 flat angles P-C4'-P energy: -62.566 tors. eta vs tors. theta energy: -27.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -641.156033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.156033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.156033 (E_RNA) where: Base-Base interactions energy: -241.681 where: short stacking energy: -172.745 Base-Backbone interact. energy: 8.458 local terms energy: -407.933333 where: bonds (distance) C4'-P energy: -118.013 bonds (distance) P-C4' energy: -145.732 flat angles C4'-P-C4' energy: -112.079 flat angles P-C4'-P energy: -78.364 tors. eta vs tors. theta energy: 46.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -3092.755776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.755776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.755776 (E_RNA) where: Base-Base interactions energy: -2194.183 where: short stacking energy: -856.734 Base-Backbone interact. energy: -4.731 local terms energy: -893.841444 where: bonds (distance) C4'-P energy: -159.910 bonds (distance) P-C4' energy: -172.103 flat angles C4'-P-C4' energy: -185.526 flat angles P-C4'-P energy: -137.187 tors. eta vs tors. theta energy: -239.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2873.520798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.520798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.520798 (E_RNA) where: Base-Base interactions energy: -2013.599 where: short stacking energy: -831.419 Base-Backbone interact. energy: -2.082 local terms energy: -857.840368 where: bonds (distance) C4'-P energy: -147.963 bonds (distance) P-C4' energy: -158.214 flat angles C4'-P-C4' energy: -195.020 flat angles P-C4'-P energy: -122.196 tors. eta vs tors. theta energy: -234.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2704.421200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.421200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.421200 (E_RNA) where: Base-Base interactions energy: -1894.634 where: short stacking energy: -811.486 Base-Backbone interact. energy: -4.565 local terms energy: -805.221854 where: bonds (distance) C4'-P energy: -154.822 bonds (distance) P-C4' energy: -157.485 flat angles C4'-P-C4' energy: -160.401 flat angles P-C4'-P energy: -118.142 tors. eta vs tors. theta energy: -214.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2592.953924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.953924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.953924 (E_RNA) where: Base-Base interactions energy: -1784.660 where: short stacking energy: -763.476 Base-Backbone interact. energy: -4.027 local terms energy: -804.266461 where: bonds (distance) C4'-P energy: -159.890 bonds (distance) P-C4' energy: -153.588 flat angles C4'-P-C4' energy: -172.235 flat angles P-C4'-P energy: -117.681 tors. eta vs tors. theta energy: -200.872 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: 8 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2410.363297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.363297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.363297 (E_RNA) where: Base-Base interactions energy: -1676.091 where: short stacking energy: -680.536 Base-Backbone interact. energy: -3.089 local terms energy: -731.183498 where: bonds (distance) C4'-P energy: -131.425 bonds (distance) P-C4' energy: -146.988 flat angles C4'-P-C4' energy: -158.809 flat angles P-C4'-P energy: -108.031 tors. eta vs tors. theta energy: -185.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2321.197656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.197656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.197656 (E_RNA) where: Base-Base interactions energy: -1585.278 where: short stacking energy: -663.653 Base-Backbone interact. energy: -4.011 local terms energy: -731.908821 where: bonds (distance) C4'-P energy: -144.567 bonds (distance) P-C4' energy: -152.044 flat angles C4'-P-C4' energy: -161.212 flat angles P-C4'-P energy: -105.937 tors. eta vs tors. theta energy: -168.148 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: 9 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -2001.662222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.662222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.662222 (E_RNA) where: Base-Base interactions energy: -1344.576 where: short stacking energy: -574.378 Base-Backbone interact. energy: 2.614 local terms energy: -659.700439 where: bonds (distance) C4'-P energy: -126.793 bonds (distance) P-C4' energy: -145.542 flat angles C4'-P-C4' energy: -155.534 flat angles P-C4'-P energy: -96.843 tors. eta vs tors. theta energy: -134.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1747.930781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.930781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.930781 (E_RNA) where: Base-Base interactions energy: -1155.022 where: short stacking energy: -518.421 Base-Backbone interact. energy: 0.925 local terms energy: -593.833502 where: bonds (distance) C4'-P energy: -130.705 bonds (distance) P-C4' energy: -146.978 flat angles C4'-P-C4' energy: -142.084 flat angles P-C4'-P energy: -87.543 tors. eta vs tors. theta energy: -86.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1275.877960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.877960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.877960 (E_RNA) where: Base-Base interactions energy: -763.570 where: short stacking energy: -384.759 Base-Backbone interact. energy: -0.032 local terms energy: -512.275798 where: bonds (distance) C4'-P energy: -120.342 bonds (distance) P-C4' energy: -138.317 flat angles C4'-P-C4' energy: -133.951 flat angles P-C4'-P energy: -76.450 tors. eta vs tors. theta energy: -43.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -617.987521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.987521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.987521 (E_RNA) where: Base-Base interactions energy: -205.269 where: short stacking energy: -156.533 Base-Backbone interact. energy: 0.608 local terms energy: -413.326436 where: bonds (distance) C4'-P energy: -131.978 bonds (distance) P-C4' energy: -131.146 flat angles C4'-P-C4' energy: -114.392 flat angles P-C4'-P energy: -77.773 tors. eta vs tors. theta energy: 41.964 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: 3 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -3101.254528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.254528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.254528 (E_RNA) where: Base-Base interactions energy: -2212.585 where: short stacking energy: -900.010 Base-Backbone interact. energy: -5.385 local terms energy: -883.284268 where: bonds (distance) C4'-P energy: -166.861 bonds (distance) P-C4' energy: -167.559 flat angles C4'-P-C4' energy: -174.302 flat angles P-C4'-P energy: -122.354 tors. eta vs tors. theta energy: -252.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2878.996415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.996415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.996415 (E_RNA) where: Base-Base interactions energy: -1992.593 where: short stacking energy: -829.331 Base-Backbone interact. energy: -4.941 local terms energy: -881.461548 where: bonds (distance) C4'-P energy: -156.147 bonds (distance) P-C4' energy: -167.108 flat angles C4'-P-C4' energy: -190.182 flat angles P-C4'-P energy: -131.516 tors. eta vs tors. theta energy: -236.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2744.649540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.649540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.649540 (E_RNA) where: Base-Base interactions energy: -1910.572 where: short stacking energy: -771.286 Base-Backbone interact. energy: -3.699 local terms energy: -830.378754 where: bonds (distance) C4'-P energy: -143.075 bonds (distance) P-C4' energy: -171.446 flat angles C4'-P-C4' energy: -174.821 flat angles P-C4'-P energy: -127.452 tors. eta vs tors. theta energy: -213.586 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: 7 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2549.033248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.033248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.033248 (E_RNA) where: Base-Base interactions energy: -1765.922 where: short stacking energy: -748.749 Base-Backbone interact. energy: -3.551 local terms energy: -779.559482 where: bonds (distance) C4'-P energy: -149.537 bonds (distance) P-C4' energy: -160.163 flat angles C4'-P-C4' energy: -164.432 flat angles P-C4'-P energy: -102.980 tors. eta vs tors. theta energy: -202.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2388.221023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.221023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.221023 (E_RNA) where: Base-Base interactions energy: -1607.242 where: short stacking energy: -711.150 Base-Backbone interact. energy: -1.636 local terms energy: -779.342522 where: bonds (distance) C4'-P energy: -136.857 bonds (distance) P-C4' energy: -163.476 flat angles C4'-P-C4' energy: -157.490 flat angles P-C4'-P energy: -119.094 tors. eta vs tors. theta energy: -202.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -2322.521193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.521193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.521193 (E_RNA) where: Base-Base interactions energy: -1580.016 where: short stacking energy: -666.156 Base-Backbone interact. energy: -3.772 local terms energy: -738.733103 where: bonds (distance) C4'-P energy: -160.845 bonds (distance) P-C4' energy: -147.150 flat angles C4'-P-C4' energy: -167.857 flat angles P-C4'-P energy: -101.890 tors. eta vs tors. theta energy: -160.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1908.240585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.240585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.240585 (E_RNA) where: Base-Base interactions energy: -1241.810 where: short stacking energy: -547.419 Base-Backbone interact. energy: -1.091 local terms energy: -665.339791 where: bonds (distance) C4'-P energy: -129.031 bonds (distance) P-C4' energy: -138.676 flat angles C4'-P-C4' energy: -160.458 flat angles P-C4'-P energy: -97.387 tors. eta vs tors. theta energy: -139.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1710.111976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.111976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.111976 (E_RNA) where: Base-Base interactions energy: -1085.588 where: short stacking energy: -501.173 Base-Backbone interact. energy: 0.098 local terms energy: -624.622399 where: bonds (distance) C4'-P energy: -149.958 bonds (distance) P-C4' energy: -146.149 flat angles C4'-P-C4' energy: -155.959 flat angles P-C4'-P energy: -82.695 tors. eta vs tors. theta energy: -89.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1337.954357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.954357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.954357 (E_RNA) where: Base-Base interactions energy: -824.194 where: short stacking energy: -391.825 Base-Backbone interact. energy: -3.347 local terms energy: -510.413914 where: bonds (distance) C4'-P energy: -124.841 bonds (distance) P-C4' energy: -144.006 flat angles C4'-P-C4' energy: -152.404 flat angles P-C4'-P energy: -51.111 tors. eta vs tors. theta energy: -38.052 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: 10 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -648.131285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.131285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.131285 (E_RNA) where: Base-Base interactions energy: -222.432 where: short stacking energy: -189.047 Base-Backbone interact. energy: 0.262 local terms energy: -425.962208 where: bonds (distance) C4'-P energy: -113.278 bonds (distance) P-C4' energy: -135.001 flat angles C4'-P-C4' energy: -117.139 flat angles P-C4'-P energy: -77.414 tors. eta vs tors. theta energy: 16.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -3108.842003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.842003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.842003 (E_RNA) where: Base-Base interactions energy: -2209.287 where: short stacking energy: -862.599 Base-Backbone interact. energy: -10.871 local terms energy: -888.683584 where: bonds (distance) C4'-P energy: -157.660 bonds (distance) P-C4' energy: -162.253 flat angles C4'-P-C4' energy: -183.552 flat angles P-C4'-P energy: -136.337 tors. eta vs tors. theta energy: -248.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2905.301705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.301705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.301705 (E_RNA) where: Base-Base interactions energy: -2056.416 where: short stacking energy: -867.805 Base-Backbone interact. energy: -7.612 local terms energy: -841.273726 where: bonds (distance) C4'-P energy: -147.274 bonds (distance) P-C4' energy: -153.012 flat angles C4'-P-C4' energy: -180.551 flat angles P-C4'-P energy: -125.405 tors. eta vs tors. theta energy: -235.030 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: 3, replica: 1 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2714.874420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.874420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.874420 (E_RNA) where: Base-Base interactions energy: -1894.912 where: short stacking energy: -810.941 Base-Backbone interact. energy: -3.367 local terms energy: -816.595048 where: bonds (distance) C4'-P energy: -151.930 bonds (distance) P-C4' energy: -148.591 flat angles C4'-P-C4' energy: -177.195 flat angles P-C4'-P energy: -112.054 tors. eta vs tors. theta energy: -226.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2610.702228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.702228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.702228 (E_RNA) where: Base-Base interactions energy: -1823.531 where: short stacking energy: -750.122 Base-Backbone interact. energy: 0.646 local terms energy: -787.817340 where: bonds (distance) C4'-P energy: -146.968 bonds (distance) P-C4' energy: -154.362 flat angles C4'-P-C4' energy: -172.323 flat angles P-C4'-P energy: -120.728 tors. eta vs tors. theta energy: -193.437 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: 8 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2342.872221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.872221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.872221 (E_RNA) where: Base-Base interactions energy: -1572.649 where: short stacking energy: -669.497 Base-Backbone interact. energy: -4.737 local terms energy: -765.485703 where: bonds (distance) C4'-P energy: -137.900 bonds (distance) P-C4' energy: -178.275 flat angles C4'-P-C4' energy: -161.344 flat angles P-C4'-P energy: -117.285 tors. eta vs tors. theta energy: -170.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -2267.611039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.611039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.611039 (E_RNA) where: Base-Base interactions energy: -1544.035 where: short stacking energy: -656.635 Base-Backbone interact. energy: -1.501 local terms energy: -722.075345 where: bonds (distance) C4'-P energy: -130.388 bonds (distance) P-C4' energy: -162.731 flat angles C4'-P-C4' energy: -165.441 flat angles P-C4'-P energy: -99.021 tors. eta vs tors. theta energy: -164.494 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: 9 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1971.898904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.898904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.898904 (E_RNA) where: Base-Base interactions energy: -1340.581 where: short stacking energy: -590.770 Base-Backbone interact. energy: 1.597 local terms energy: -632.914902 where: bonds (distance) C4'-P energy: -131.901 bonds (distance) P-C4' energy: -129.509 flat angles C4'-P-C4' energy: -156.600 flat angles P-C4'-P energy: -88.523 tors. eta vs tors. theta energy: -126.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1675.053897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.053897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.053897 (E_RNA) where: Base-Base interactions energy: -1087.122 where: short stacking energy: -473.388 Base-Backbone interact. energy: -1.580 local terms energy: -587.715891 where: bonds (distance) C4'-P energy: -128.342 bonds (distance) P-C4' energy: -142.795 flat angles C4'-P-C4' energy: -134.741 flat angles P-C4'-P energy: -94.887 tors. eta vs tors. theta energy: -86.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.364 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1252.284148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.284148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.284148 (E_RNA) where: Base-Base interactions energy: -733.892 where: short stacking energy: -367.214 Base-Backbone interact. energy: -1.726 local terms energy: -516.666178 where: bonds (distance) C4'-P energy: -110.281 bonds (distance) P-C4' energy: -124.286 flat angles C4'-P-C4' energy: -151.045 flat angles P-C4'-P energy: -79.730 tors. eta vs tors. theta energy: -51.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -614.055813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.055813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.055813 (E_RNA) where: Base-Base interactions energy: -189.296 where: short stacking energy: -157.573 Base-Backbone interact. energy: -1.043 local terms energy: -423.717114 where: bonds (distance) C4'-P energy: -116.609 bonds (distance) P-C4' energy: -165.354 flat angles C4'-P-C4' energy: -104.190 flat angles P-C4'-P energy: -53.028 tors. eta vs tors. theta energy: 15.464 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: 1, replica: 3 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -3074.539145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.539145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.539145 (E_RNA) where: Base-Base interactions energy: -2165.334 where: short stacking energy: -854.442 Base-Backbone interact. energy: -7.313 local terms energy: -901.892883 where: bonds (distance) C4'-P energy: -172.729 bonds (distance) P-C4' energy: -180.518 flat angles C4'-P-C4' energy: -185.895 flat angles P-C4'-P energy: -122.422 tors. eta vs tors. theta energy: -240.328 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: 5 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2850.364959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.364959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.364959 (E_RNA) where: Base-Base interactions energy: -1988.301 where: short stacking energy: -824.278 Base-Backbone interact. energy: -1.276 local terms energy: -860.787864 where: bonds (distance) C4'-P energy: -158.366 bonds (distance) P-C4' energy: -167.847 flat angles C4'-P-C4' energy: -186.512 flat angles P-C4'-P energy: -116.023 tors. eta vs tors. theta energy: -232.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2724.044115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.044115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.044115 (E_RNA) where: Base-Base interactions energy: -1902.030 where: short stacking energy: -779.296 Base-Backbone interact. energy: -0.011 local terms energy: -822.002975 where: bonds (distance) C4'-P energy: -156.340 bonds (distance) P-C4' energy: -167.171 flat angles C4'-P-C4' energy: -174.639 flat angles P-C4'-P energy: -109.109 tors. eta vs tors. theta energy: -214.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2590.502243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.502243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.502243 (E_RNA) where: Base-Base interactions energy: -1806.327 where: short stacking energy: -740.005 Base-Backbone interact. energy: -5.186 local terms energy: -778.989451 where: bonds (distance) C4'-P energy: -143.823 bonds (distance) P-C4' energy: -159.091 flat angles C4'-P-C4' energy: -173.122 flat angles P-C4'-P energy: -100.551 tors. eta vs tors. theta energy: -202.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2380.032696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.032696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.032696 (E_RNA) where: Base-Base interactions energy: -1642.059 where: short stacking energy: -718.418 Base-Backbone interact. energy: -5.575 local terms energy: -732.398635 where: bonds (distance) C4'-P energy: -132.877 bonds (distance) P-C4' energy: -154.705 flat angles C4'-P-C4' energy: -158.800 flat angles P-C4'-P energy: -99.103 tors. eta vs tors. theta energy: -186.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -2315.532449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.532449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.532449 (E_RNA) where: Base-Base interactions energy: -1614.872 where: short stacking energy: -659.314 Base-Backbone interact. energy: 0.282 local terms energy: -700.942385 where: bonds (distance) C4'-P energy: -101.555 bonds (distance) P-C4' energy: -158.168 flat angles C4'-P-C4' energy: -154.453 flat angles P-C4'-P energy: -121.247 tors. eta vs tors. theta energy: -165.520 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: 7, replica: 9 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1984.890788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.890788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.890788 (E_RNA) where: Base-Base interactions energy: -1339.643 where: short stacking energy: -570.483 Base-Backbone interact. energy: -0.509 local terms energy: -644.738961 where: bonds (distance) C4'-P energy: -134.989 bonds (distance) P-C4' energy: -152.936 flat angles C4'-P-C4' energy: -144.586 flat angles P-C4'-P energy: -90.320 tors. eta vs tors. theta energy: -121.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1681.432915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.432915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.432915 (E_RNA) where: Base-Base interactions energy: -1061.399 where: short stacking energy: -486.784 Base-Backbone interact. energy: 1.043 local terms energy: -621.077111 where: bonds (distance) C4'-P energy: -115.996 bonds (distance) P-C4' energy: -163.663 flat angles C4'-P-C4' energy: -125.763 flat angles P-C4'-P energy: -111.207 tors. eta vs tors. theta energy: -104.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1264.521123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.521123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.521123 (E_RNA) where: Base-Base interactions energy: -747.073 where: short stacking energy: -368.114 Base-Backbone interact. energy: -0.760 local terms energy: -516.688198 where: bonds (distance) C4'-P energy: -120.356 bonds (distance) P-C4' energy: -140.485 flat angles C4'-P-C4' energy: -123.458 flat angles P-C4'-P energy: -83.741 tors. eta vs tors. theta energy: -48.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -677.217351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.217351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.217351 (E_RNA) where: Base-Base interactions energy: -235.960 where: short stacking energy: -179.175 Base-Backbone interact. energy: 0.134 local terms energy: -441.391869 where: bonds (distance) C4'-P energy: -154.872 bonds (distance) P-C4' energy: -135.576 flat angles C4'-P-C4' energy: -108.182 flat angles P-C4'-P energy: -93.536 tors. eta vs tors. theta energy: 50.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -3054.444219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.444219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.444219 (E_RNA) where: Base-Base interactions energy: -2138.144 where: short stacking energy: -838.124 Base-Backbone interact. energy: -9.882 local terms energy: -906.418229 where: bonds (distance) C4'-P energy: -163.735 bonds (distance) P-C4' energy: -183.085 flat angles C4'-P-C4' energy: -196.220 flat angles P-C4'-P energy: -129.563 tors. eta vs tors. theta energy: -233.816 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: 412 Temperature: 0.950000 Total energy: -2860.645975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.645975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.645975 (E_RNA) where: Base-Base interactions energy: -1993.737 where: short stacking energy: -822.601 Base-Backbone interact. energy: -6.185 local terms energy: -860.724352 where: bonds (distance) C4'-P energy: -144.445 bonds (distance) P-C4' energy: -160.161 flat angles C4'-P-C4' energy: -187.521 flat angles P-C4'-P energy: -131.954 tors. eta vs tors. theta energy: -236.643 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: 1 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2681.553566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.553566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.553566 (E_RNA) where: Base-Base interactions energy: -1873.432 where: short stacking energy: -808.506 Base-Backbone interact. energy: -3.635 local terms energy: -804.486347 where: bonds (distance) C4'-P energy: -144.290 bonds (distance) P-C4' energy: -165.237 flat angles C4'-P-C4' energy: -171.027 flat angles P-C4'-P energy: -107.858 tors. eta vs tors. theta energy: -216.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2593.828184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.828184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.828184 (E_RNA) where: Base-Base interactions energy: -1807.030 where: short stacking energy: -735.803 Base-Backbone interact. energy: -5.992 local terms energy: -780.806386 where: bonds (distance) C4'-P energy: -153.035 bonds (distance) P-C4' energy: -150.704 flat angles C4'-P-C4' energy: -165.259 flat angles P-C4'-P energy: -117.360 tors. eta vs tors. theta energy: -194.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2340.149159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.149159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.149159 (E_RNA) where: Base-Base interactions energy: -1607.817 where: short stacking energy: -694.983 Base-Backbone interact. energy: 3.038 local terms energy: -735.370518 where: bonds (distance) C4'-P energy: -143.260 bonds (distance) P-C4' energy: -160.853 flat angles C4'-P-C4' energy: -145.365 flat angles P-C4'-P energy: -105.925 tors. eta vs tors. theta energy: -179.967 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: 4 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -2338.504208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.504208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.504208 (E_RNA) where: Base-Base interactions energy: -1595.750 where: short stacking energy: -673.947 Base-Backbone interact. energy: 1.724 local terms energy: -744.478418 where: bonds (distance) C4'-P energy: -142.473 bonds (distance) P-C4' energy: -157.627 flat angles C4'-P-C4' energy: -166.998 flat angles P-C4'-P energy: -113.546 tors. eta vs tors. theta energy: -163.835 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: 9 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -2001.932150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.932150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.932150 (E_RNA) where: Base-Base interactions energy: -1365.653 where: short stacking energy: -571.296 Base-Backbone interact. energy: -4.937 local terms energy: -631.341303 where: bonds (distance) C4'-P energy: -116.387 bonds (distance) P-C4' energy: -147.008 flat angles C4'-P-C4' energy: -141.494 flat angles P-C4'-P energy: -86.722 tors. eta vs tors. theta energy: -139.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1662.497587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.497587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.497587 (E_RNA) where: Base-Base interactions energy: -1096.799 where: short stacking energy: -504.203 Base-Backbone interact. energy: -2.732 local terms energy: -562.966243 where: bonds (distance) C4'-P energy: -112.887 bonds (distance) P-C4' energy: -141.095 flat angles C4'-P-C4' energy: -139.585 flat angles P-C4'-P energy: -76.983 tors. eta vs tors. theta energy: -92.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1236.206630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.206630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.206630 (E_RNA) where: Base-Base interactions energy: -727.255 where: short stacking energy: -338.378 Base-Backbone interact. energy: 8.173 local terms energy: -517.124136 where: bonds (distance) C4'-P energy: -149.700 bonds (distance) P-C4' energy: -112.816 flat angles C4'-P-C4' energy: -116.448 flat angles P-C4'-P energy: -79.979 tors. eta vs tors. theta energy: -58.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -633.053423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.053423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.053423 (E_RNA) where: Base-Base interactions energy: -237.959 where: short stacking energy: -194.393 Base-Backbone interact. energy: 0.399 local terms energy: -395.493545 where: bonds (distance) C4'-P energy: -121.423 bonds (distance) P-C4' energy: -133.378 flat angles C4'-P-C4' energy: -121.693 flat angles P-C4'-P energy: -44.007 tors. eta vs tors. theta energy: 25.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -3059.282868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.282868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.282868 (E_RNA) where: Base-Base interactions energy: -2163.210 where: short stacking energy: -867.220 Base-Backbone interact. energy: -4.320 local terms energy: -891.752826 where: bonds (distance) C4'-P energy: -171.075 bonds (distance) P-C4' energy: -154.817 flat angles C4'-P-C4' energy: -192.006 flat angles P-C4'-P energy: -128.271 tors. eta vs tors. theta energy: -245.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2808.445286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.445286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.445286 (E_RNA) where: Base-Base interactions energy: -1953.489 where: short stacking energy: -836.597 Base-Backbone interact. energy: -5.536 local terms energy: -849.420440 where: bonds (distance) C4'-P energy: -152.301 bonds (distance) P-C4' energy: -173.382 flat angles C4'-P-C4' energy: -174.075 flat angles P-C4'-P energy: -118.839 tors. eta vs tors. theta energy: -230.822 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: 1 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2705.565427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.565427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.565427 (E_RNA) where: Base-Base interactions energy: -1873.253 where: short stacking energy: -798.809 Base-Backbone interact. energy: 0.365 local terms energy: -832.677466 where: bonds (distance) C4'-P energy: -167.465 bonds (distance) P-C4' energy: -152.606 flat angles C4'-P-C4' energy: -178.777 flat angles P-C4'-P energy: -121.415 tors. eta vs tors. theta energy: -212.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2614.560808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.560808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.560808 (E_RNA) where: Base-Base interactions energy: -1831.733 where: short stacking energy: -753.761 Base-Backbone interact. energy: -6.166 local terms energy: -776.662040 where: bonds (distance) C4'-P energy: -137.535 bonds (distance) P-C4' energy: -162.966 flat angles C4'-P-C4' energy: -171.131 flat angles P-C4'-P energy: -98.746 tors. eta vs tors. theta energy: -206.284 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: 8 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2349.044296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.044296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.044296 (E_RNA) where: Base-Base interactions energy: -1599.844 where: short stacking energy: -704.730 Base-Backbone interact. energy: 0.658 local terms energy: -749.857961 where: bonds (distance) C4'-P energy: -138.409 bonds (distance) P-C4' energy: -144.232 flat angles C4'-P-C4' energy: -169.643 flat angles P-C4'-P energy: -103.866 tors. eta vs tors. theta energy: -193.709 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: 4 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -2329.044529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.044529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.044529 (E_RNA) where: Base-Base interactions energy: -1617.118 where: short stacking energy: -683.466 Base-Backbone interact. energy: -2.815 local terms energy: -709.111581 where: bonds (distance) C4'-P energy: -117.201 bonds (distance) P-C4' energy: -133.034 flat angles C4'-P-C4' energy: -170.132 flat angles P-C4'-P energy: -114.721 tors. eta vs tors. theta energy: -174.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1946.993200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.993200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.993200 (E_RNA) where: Base-Base interactions energy: -1290.691 where: short stacking energy: -559.351 Base-Backbone interact. energy: -3.756 local terms energy: -652.546235 where: bonds (distance) C4'-P energy: -125.230 bonds (distance) P-C4' energy: -146.072 flat angles C4'-P-C4' energy: -156.176 flat angles P-C4'-P energy: -84.979 tors. eta vs tors. theta energy: -140.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1635.633912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.633912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.633912 (E_RNA) where: Base-Base interactions energy: -1051.303 where: short stacking energy: -479.543 Base-Backbone interact. energy: 4.169 local terms energy: -588.500193 where: bonds (distance) C4'-P energy: -139.934 bonds (distance) P-C4' energy: -141.839 flat angles C4'-P-C4' energy: -132.924 flat angles P-C4'-P energy: -77.585 tors. eta vs tors. theta energy: -96.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1267.592262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.592262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.592262 (E_RNA) where: Base-Base interactions energy: -704.832 where: short stacking energy: -361.882 Base-Backbone interact. energy: -3.416 local terms energy: -559.344737 where: bonds (distance) C4'-P energy: -138.045 bonds (distance) P-C4' energy: -161.648 flat angles C4'-P-C4' energy: -134.534 flat angles P-C4'-P energy: -82.563 tors. eta vs tors. theta energy: -42.554 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: 10 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -626.183958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.183958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.183958 (E_RNA) where: Base-Base interactions energy: -208.418 where: short stacking energy: -174.859 Base-Backbone interact. energy: -0.633 local terms energy: -417.133377 where: bonds (distance) C4'-P energy: -130.217 bonds (distance) P-C4' energy: -150.939 flat angles C4'-P-C4' energy: -108.563 flat angles P-C4'-P energy: -75.214 tors. eta vs tors. theta energy: 47.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -3045.602836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.602836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.602836 (E_RNA) where: Base-Base interactions energy: -2183.594 where: short stacking energy: -849.202 Base-Backbone interact. energy: -1.734 local terms energy: -860.274707 where: bonds (distance) C4'-P energy: -157.050 bonds (distance) P-C4' energy: -166.456 flat angles C4'-P-C4' energy: -184.336 flat angles P-C4'-P energy: -121.961 tors. eta vs tors. theta energy: -230.472 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: 5 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2851.145754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.145754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.145754 (E_RNA) where: Base-Base interactions energy: -2001.028 where: short stacking energy: -844.406 Base-Backbone interact. energy: 3.381 local terms energy: -853.499067 where: bonds (distance) C4'-P energy: -151.234 bonds (distance) P-C4' energy: -186.730 flat angles C4'-P-C4' energy: -169.661 flat angles P-C4'-P energy: -118.947 tors. eta vs tors. theta energy: -226.927 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: 1 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2722.894855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.894855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.894855 (E_RNA) where: Base-Base interactions energy: -1906.899 where: short stacking energy: -791.267 Base-Backbone interact. energy: 0.843 local terms energy: -816.838789 where: bonds (distance) C4'-P energy: -144.983 bonds (distance) P-C4' energy: -156.723 flat angles C4'-P-C4' energy: -176.983 flat angles P-C4'-P energy: -111.065 tors. eta vs tors. theta energy: -227.085 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: 7 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2638.950439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.950439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.950439 (E_RNA) where: Base-Base interactions energy: -1830.449 where: short stacking energy: -737.645 Base-Backbone interact. energy: -1.189 local terms energy: -807.311729 where: bonds (distance) C4'-P energy: -129.588 bonds (distance) P-C4' energy: -163.825 flat angles C4'-P-C4' energy: -170.876 flat angles P-C4'-P energy: -132.285 tors. eta vs tors. theta energy: -210.738 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: 8 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2358.288950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.288950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.288950 (E_RNA) where: Base-Base interactions energy: -1610.459 where: short stacking energy: -696.361 Base-Backbone interact. energy: -5.830 local terms energy: -741.999677 where: bonds (distance) C4'-P energy: -143.059 bonds (distance) P-C4' energy: -141.554 flat angles C4'-P-C4' energy: -170.083 flat angles P-C4'-P energy: -104.712 tors. eta vs tors. theta energy: -182.591 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: 4 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2310.644535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.644535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.644535 (E_RNA) where: Base-Base interactions energy: -1576.292 where: short stacking energy: -647.865 Base-Backbone interact. energy: 5.147 local terms energy: -739.499164 where: bonds (distance) C4'-P energy: -143.536 bonds (distance) P-C4' energy: -163.737 flat angles C4'-P-C4' energy: -145.615 flat angles P-C4'-P energy: -116.843 tors. eta vs tors. theta energy: -169.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -2008.840790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.840790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.840790 (E_RNA) where: Base-Base interactions energy: -1346.580 where: short stacking energy: -599.106 Base-Backbone interact. energy: -1.080 local terms energy: -661.181499 where: bonds (distance) C4'-P energy: -130.437 bonds (distance) P-C4' energy: -130.840 flat angles C4'-P-C4' energy: -158.530 flat angles P-C4'-P energy: -90.928 tors. eta vs tors. theta energy: -150.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1603.224542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.224542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.224542 (E_RNA) where: Base-Base interactions energy: -1016.994 where: short stacking energy: -461.091 Base-Backbone interact. energy: 1.544 local terms energy: -587.774040 where: bonds (distance) C4'-P energy: -126.208 bonds (distance) P-C4' energy: -152.262 flat angles C4'-P-C4' energy: -139.653 flat angles P-C4'-P energy: -88.279 tors. eta vs tors. theta energy: -81.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1282.545824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.545824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.545824 (E_RNA) where: Base-Base interactions energy: -774.244 where: short stacking energy: -368.919 Base-Backbone interact. energy: 1.203 local terms energy: -509.504272 where: bonds (distance) C4'-P energy: -112.718 bonds (distance) P-C4' energy: -151.880 flat angles C4'-P-C4' energy: -125.151 flat angles P-C4'-P energy: -87.731 tors. eta vs tors. theta energy: -32.024 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: 10 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -628.384526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.384526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.384526 (E_RNA) where: Base-Base interactions energy: -222.015 where: short stacking energy: -186.301 Base-Backbone interact. energy: 6.613 local terms energy: -412.982374 where: bonds (distance) C4'-P energy: -139.492 bonds (distance) P-C4' energy: -151.805 flat angles C4'-P-C4' energy: -101.527 flat angles P-C4'-P energy: -47.732 tors. eta vs tors. theta energy: 27.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -3101.407720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.407720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.407720 (E_RNA) where: Base-Base interactions energy: -2194.259 where: short stacking energy: -851.139 Base-Backbone interact. energy: -5.168 local terms energy: -901.980055 where: bonds (distance) C4'-P energy: -164.428 bonds (distance) P-C4' energy: -170.429 flat angles C4'-P-C4' energy: -184.623 flat angles P-C4'-P energy: -138.253 tors. eta vs tors. theta energy: -244.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2853.747526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.747526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.747526 (E_RNA) where: Base-Base interactions energy: -1985.611 where: short stacking energy: -819.839 Base-Backbone interact. energy: -9.643 local terms energy: -858.492884 where: bonds (distance) C4'-P energy: -148.347 bonds (distance) P-C4' energy: -172.685 flat angles C4'-P-C4' energy: -188.288 flat angles P-C4'-P energy: -109.592 tors. eta vs tors. theta energy: -239.582 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: 1 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2708.979368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.979368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.979368 (E_RNA) where: Base-Base interactions energy: -1914.469 where: short stacking energy: -811.307 Base-Backbone interact. energy: -3.247 local terms energy: -791.263562 where: bonds (distance) C4'-P energy: -125.682 bonds (distance) P-C4' energy: -159.935 flat angles C4'-P-C4' energy: -157.069 flat angles P-C4'-P energy: -121.149 tors. eta vs tors. theta energy: -227.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2569.870604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.870604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.870604 (E_RNA) where: Base-Base interactions energy: -1750.703 where: short stacking energy: -751.430 Base-Backbone interact. energy: -0.834 local terms energy: -818.333503 where: bonds (distance) C4'-P energy: -150.811 bonds (distance) P-C4' energy: -163.598 flat angles C4'-P-C4' energy: -189.425 flat angles P-C4'-P energy: -120.542 tors. eta vs tors. theta energy: -193.958 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: 8 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2371.550888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.550888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.550888 (E_RNA) where: Base-Base interactions energy: -1615.349 where: short stacking energy: -660.978 Base-Backbone interact. energy: 3.360 local terms energy: -759.562407 where: bonds (distance) C4'-P energy: -139.297 bonds (distance) P-C4' energy: -170.115 flat angles C4'-P-C4' energy: -173.446 flat angles P-C4'-P energy: -99.621 tors. eta vs tors. theta energy: -177.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -2310.820206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.820206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.820206 (E_RNA) where: Base-Base interactions energy: -1638.671 where: short stacking energy: -696.001 Base-Backbone interact. energy: 0.968 local terms energy: -673.116831 where: bonds (distance) C4'-P energy: -128.503 bonds (distance) P-C4' energy: -141.204 flat angles C4'-P-C4' energy: -151.237 flat angles P-C4'-P energy: -85.768 tors. eta vs tors. theta energy: -166.404 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: 9 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1984.154051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.154051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.154051 (E_RNA) where: Base-Base interactions energy: -1330.260 where: short stacking energy: -596.908 Base-Backbone interact. energy: 0.032 local terms energy: -653.926064 where: bonds (distance) C4'-P energy: -134.063 bonds (distance) P-C4' energy: -149.264 flat angles C4'-P-C4' energy: -132.326 flat angles P-C4'-P energy: -94.398 tors. eta vs tors. theta energy: -143.875 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: 415 Temperature: 1.250000 Total energy: -1630.917219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.917219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.917219 (E_RNA) where: Base-Base interactions energy: -1034.312 where: short stacking energy: -470.988 Base-Backbone interact. energy: -1.949 local terms energy: -595.064908 where: bonds (distance) C4'-P energy: -142.405 bonds (distance) P-C4' energy: -144.764 flat angles C4'-P-C4' energy: -126.959 flat angles P-C4'-P energy: -94.551 tors. eta vs tors. theta energy: -86.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.408 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1287.967246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.967246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.967246 (E_RNA) where: Base-Base interactions energy: -764.447 where: short stacking energy: -359.544 Base-Backbone interact. energy: 0.388 local terms energy: -523.908258 where: bonds (distance) C4'-P energy: -123.050 bonds (distance) P-C4' energy: -141.968 flat angles C4'-P-C4' energy: -123.525 flat angles P-C4'-P energy: -79.569 tors. eta vs tors. theta energy: -55.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -626.601149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.601149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.601149 (E_RNA) where: Base-Base interactions energy: -237.819 where: short stacking energy: -157.679 Base-Backbone interact. energy: 6.115 local terms energy: -394.896667 where: bonds (distance) C4'-P energy: -118.408 bonds (distance) P-C4' energy: -151.370 flat angles C4'-P-C4' energy: -104.679 flat angles P-C4'-P energy: -37.821 tors. eta vs tors. theta energy: 17.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -3059.609020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.609020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.609020 (E_RNA) where: Base-Base interactions energy: -2168.844 where: short stacking energy: -843.495 Base-Backbone interact. energy: -2.919 local terms energy: -887.845573 where: bonds (distance) C4'-P energy: -168.073 bonds (distance) P-C4' energy: -171.991 flat angles C4'-P-C4' energy: -193.943 flat angles P-C4'-P energy: -123.076 tors. eta vs tors. theta energy: -230.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2832.286011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.286011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.286011 (E_RNA) where: Base-Base interactions energy: -1989.823 where: short stacking energy: -802.148 Base-Backbone interact. energy: -2.985 local terms energy: -839.478126 where: bonds (distance) C4'-P energy: -148.547 bonds (distance) P-C4' energy: -172.088 flat angles C4'-P-C4' energy: -192.457 flat angles P-C4'-P energy: -107.790 tors. eta vs tors. theta energy: -218.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2758.533511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.533511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.533511 (E_RNA) where: Base-Base interactions energy: -1923.311 where: short stacking energy: -768.004 Base-Backbone interact. energy: -3.249 local terms energy: -831.973572 where: bonds (distance) C4'-P energy: -144.817 bonds (distance) P-C4' energy: -170.726 flat angles C4'-P-C4' energy: -177.965 flat angles P-C4'-P energy: -118.237 tors. eta vs tors. theta energy: -220.228 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: 7 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2582.245509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.245509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.245509 (E_RNA) where: Base-Base interactions energy: -1758.281 where: short stacking energy: -736.891 Base-Backbone interact. energy: -3.775 local terms energy: -820.189674 where: bonds (distance) C4'-P energy: -158.374 bonds (distance) P-C4' energy: -175.643 flat angles C4'-P-C4' energy: -174.707 flat angles P-C4'-P energy: -110.535 tors. eta vs tors. theta energy: -200.930 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: 5, replica: 8 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2362.129850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.129850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.129850 (E_RNA) where: Base-Base interactions energy: -1617.941 where: short stacking energy: -673.571 Base-Backbone interact. energy: -7.103 local terms energy: -737.085254 where: bonds (distance) C4'-P energy: -134.293 bonds (distance) P-C4' energy: -142.367 flat angles C4'-P-C4' energy: -171.811 flat angles P-C4'-P energy: -103.596 tors. eta vs tors. theta energy: -185.019 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: 4 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2332.315392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.315392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.315392 (E_RNA) where: Base-Base interactions energy: -1604.796 where: short stacking energy: -699.102 Base-Backbone interact. energy: 5.699 local terms energy: -733.218730 where: bonds (distance) C4'-P energy: -152.217 bonds (distance) P-C4' energy: -134.642 flat angles C4'-P-C4' energy: -153.240 flat angles P-C4'-P energy: -117.810 tors. eta vs tors. theta energy: -175.310 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: 9 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1994.303987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.303987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.303987 (E_RNA) where: Base-Base interactions energy: -1337.676 where: short stacking energy: -592.470 Base-Backbone interact. energy: 0.267 local terms energy: -656.894727 where: bonds (distance) C4'-P energy: -118.924 bonds (distance) P-C4' energy: -138.916 flat angles C4'-P-C4' energy: -146.356 flat angles P-C4'-P energy: -97.741 tors. eta vs tors. theta energy: -154.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1630.653422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.653422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.653422 (E_RNA) where: Base-Base interactions energy: -1029.569 where: short stacking energy: -445.980 Base-Backbone interact. energy: -0.267 local terms energy: -600.827685 where: bonds (distance) C4'-P energy: -128.871 bonds (distance) P-C4' energy: -144.660 flat angles C4'-P-C4' energy: -139.559 flat angles P-C4'-P energy: -111.106 tors. eta vs tors. theta energy: -76.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.011 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -1232.128235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.128235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.128235 (E_RNA) where: Base-Base interactions energy: -697.434 where: short stacking energy: -332.151 Base-Backbone interact. energy: 0.330 local terms energy: -535.024795 where: bonds (distance) C4'-P energy: -132.356 bonds (distance) P-C4' energy: -155.456 flat angles C4'-P-C4' energy: -121.111 flat angles P-C4'-P energy: -86.990 tors. eta vs tors. theta energy: -39.112 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: 10, replica: 10 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -607.559385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.559385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.559385 (E_RNA) where: Base-Base interactions energy: -220.676 where: short stacking energy: -183.878 Base-Backbone interact. energy: 1.328 local terms energy: -388.211262 where: bonds (distance) C4'-P energy: -107.167 bonds (distance) P-C4' energy: -127.150 flat angles C4'-P-C4' energy: -115.569 flat angles P-C4'-P energy: -49.671 tors. eta vs tors. theta energy: 11.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -3050.619286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.619286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.619286 (E_RNA) where: Base-Base interactions energy: -2182.051 where: short stacking energy: -864.124 Base-Backbone interact. energy: -6.236 local terms energy: -862.332483 where: bonds (distance) C4'-P energy: -168.187 bonds (distance) P-C4' energy: -163.063 flat angles C4'-P-C4' energy: -178.338 flat angles P-C4'-P energy: -112.777 tors. eta vs tors. theta energy: -239.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2835.182525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.182525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.182525 (E_RNA) where: Base-Base interactions energy: -2004.368 where: short stacking energy: -850.155 Base-Backbone interact. energy: -2.186 local terms energy: -828.628855 where: bonds (distance) C4'-P energy: -148.344 bonds (distance) P-C4' energy: -152.153 flat angles C4'-P-C4' energy: -174.501 flat angles P-C4'-P energy: -118.659 tors. eta vs tors. theta energy: -234.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2780.131618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.131618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.131618 (E_RNA) where: Base-Base interactions energy: -1958.739 where: short stacking energy: -804.446 Base-Backbone interact. energy: 1.023 local terms energy: -822.415622 where: bonds (distance) C4'-P energy: -138.597 bonds (distance) P-C4' energy: -154.448 flat angles C4'-P-C4' energy: -177.190 flat angles P-C4'-P energy: -119.848 tors. eta vs tors. theta energy: -232.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2596.238589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.238589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.238589 (E_RNA) where: Base-Base interactions energy: -1787.095 where: short stacking energy: -742.468 Base-Backbone interact. energy: -5.672 local terms energy: -803.472286 where: bonds (distance) C4'-P energy: -154.613 bonds (distance) P-C4' energy: -148.562 flat angles C4'-P-C4' energy: -182.127 flat angles P-C4'-P energy: -109.393 tors. eta vs tors. theta energy: -208.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2385.122115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.122115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.122115 (E_RNA) where: Base-Base interactions energy: -1629.138 where: short stacking energy: -686.486 Base-Backbone interact. energy: -1.088 local terms energy: -754.895682 where: bonds (distance) C4'-P energy: -134.005 bonds (distance) P-C4' energy: -164.376 flat angles C4'-P-C4' energy: -166.914 flat angles P-C4'-P energy: -109.263 tors. eta vs tors. theta energy: -180.338 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: 4 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -2284.251624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.251624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.251624 (E_RNA) where: Base-Base interactions energy: -1592.282 where: short stacking energy: -632.185 Base-Backbone interact. energy: -4.334 local terms energy: -687.635656 where: bonds (distance) C4'-P energy: -142.602 bonds (distance) P-C4' energy: -147.480 flat angles C4'-P-C4' energy: -135.906 flat angles P-C4'-P energy: -97.012 tors. eta vs tors. theta energy: -164.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -2093.150032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.150032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.150032 (E_RNA) where: Base-Base interactions energy: -1391.541 where: short stacking energy: -605.356 Base-Backbone interact. energy: 2.230 local terms energy: -703.839187 where: bonds (distance) C4'-P energy: -148.772 bonds (distance) P-C4' energy: -154.775 flat angles C4'-P-C4' energy: -155.885 flat angles P-C4'-P energy: -102.282 tors. eta vs tors. theta energy: -142.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1628.891439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.891439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.891439 (E_RNA) where: Base-Base interactions energy: -1015.204 where: short stacking energy: -462.556 Base-Backbone interact. energy: 4.365 local terms energy: -619.698764 where: bonds (distance) C4'-P energy: -142.852 bonds (distance) P-C4' energy: -156.771 flat angles C4'-P-C4' energy: -135.796 flat angles P-C4'-P energy: -92.468 tors. eta vs tors. theta energy: -91.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.646 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -1188.391477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.391477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.391477 (E_RNA) where: Base-Base interactions energy: -682.465 where: short stacking energy: -328.242 Base-Backbone interact. energy: -3.441 local terms energy: -502.485150 where: bonds (distance) C4'-P energy: -124.847 bonds (distance) P-C4' energy: -134.267 flat angles C4'-P-C4' energy: -131.560 flat angles P-C4'-P energy: -82.545 tors. eta vs tors. theta energy: -29.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -635.809496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.809496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.809496 (E_RNA) where: Base-Base interactions energy: -229.486 where: short stacking energy: -179.742 Base-Backbone interact. energy: 0.324 local terms energy: -406.647204 where: bonds (distance) C4'-P energy: -116.312 bonds (distance) P-C4' energy: -139.464 flat angles C4'-P-C4' energy: -118.039 flat angles P-C4'-P energy: -57.613 tors. eta vs tors. theta energy: 24.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -3066.568147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.568147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.568147 (E_RNA) where: Base-Base interactions energy: -2179.088 where: short stacking energy: -864.471 Base-Backbone interact. energy: -4.305 local terms energy: -883.175787 where: bonds (distance) C4'-P energy: -157.262 bonds (distance) P-C4' energy: -166.443 flat angles C4'-P-C4' energy: -188.084 flat angles P-C4'-P energy: -130.896 tors. eta vs tors. theta energy: -240.491 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: 418 Temperature: 0.950000 Total energy: -2845.328976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.328976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.328976 (E_RNA) where: Base-Base interactions energy: -2003.737 where: short stacking energy: -847.486 Base-Backbone interact. energy: -0.840 local terms energy: -840.752612 where: bonds (distance) C4'-P energy: -145.180 bonds (distance) P-C4' energy: -151.990 flat angles C4'-P-C4' energy: -184.801 flat angles P-C4'-P energy: -127.257 tors. eta vs tors. theta energy: -231.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2784.575273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.575273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.575273 (E_RNA) where: Base-Base interactions energy: -1944.756 where: short stacking energy: -817.386 Base-Backbone interact. energy: -1.276 local terms energy: -838.543944 where: bonds (distance) C4'-P energy: -156.367 bonds (distance) P-C4' energy: -153.703 flat angles C4'-P-C4' energy: -178.952 flat angles P-C4'-P energy: -118.272 tors. eta vs tors. theta energy: -231.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2548.816567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.816567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.816567 (E_RNA) where: Base-Base interactions energy: -1757.632 where: short stacking energy: -725.527 Base-Backbone interact. energy: -2.473 local terms energy: -788.711245 where: bonds (distance) C4'-P energy: -167.734 bonds (distance) P-C4' energy: -159.558 flat angles C4'-P-C4' energy: -148.207 flat angles P-C4'-P energy: -114.363 tors. eta vs tors. theta energy: -198.850 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: 8 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2382.836915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.836915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.836915 (E_RNA) where: Base-Base interactions energy: -1603.183 where: short stacking energy: -699.279 Base-Backbone interact. energy: -3.401 local terms energy: -776.252700 where: bonds (distance) C4'-P energy: -154.269 bonds (distance) P-C4' energy: -151.382 flat angles C4'-P-C4' energy: -171.051 flat angles P-C4'-P energy: -117.855 tors. eta vs tors. theta energy: -181.695 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: 4 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -2286.782874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.782874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.782874 (E_RNA) where: Base-Base interactions energy: -1544.096 where: short stacking energy: -652.673 Base-Backbone interact. energy: 0.547 local terms energy: -743.234192 where: bonds (distance) C4'-P energy: -136.565 bonds (distance) P-C4' energy: -142.157 flat angles C4'-P-C4' energy: -163.753 flat angles P-C4'-P energy: -117.542 tors. eta vs tors. theta energy: -183.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -2091.214523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.214523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.214523 (E_RNA) where: Base-Base interactions energy: -1402.132 where: short stacking energy: -581.517 Base-Backbone interact. energy: 0.425 local terms energy: -689.506594 where: bonds (distance) C4'-P energy: -126.175 bonds (distance) P-C4' energy: -148.641 flat angles C4'-P-C4' energy: -167.722 flat angles P-C4'-P energy: -107.011 tors. eta vs tors. theta energy: -139.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1661.800775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.800775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.800775 (E_RNA) where: Base-Base interactions energy: -1069.280 where: short stacking energy: -482.217 Base-Backbone interact. energy: -4.643 local terms energy: -587.878325 where: bonds (distance) C4'-P energy: -149.818 bonds (distance) P-C4' energy: -138.322 flat angles C4'-P-C4' energy: -136.365 flat angles P-C4'-P energy: -85.438 tors. eta vs tors. theta energy: -77.936 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: 2 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1177.582010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.582010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.582010 (E_RNA) where: Base-Base interactions energy: -670.063 where: short stacking energy: -320.448 Base-Backbone interact. energy: -0.786 local terms energy: -506.732973 where: bonds (distance) C4'-P energy: -116.711 bonds (distance) P-C4' energy: -139.402 flat angles C4'-P-C4' energy: -122.155 flat angles P-C4'-P energy: -84.771 tors. eta vs tors. theta energy: -43.694 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: 10 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -637.234055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.234055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.234055 (E_RNA) where: Base-Base interactions energy: -223.726 where: short stacking energy: -175.340 Base-Backbone interact. energy: 6.437 local terms energy: -419.944776 where: bonds (distance) C4'-P energy: -123.665 bonds (distance) P-C4' energy: -153.907 flat angles C4'-P-C4' energy: -94.081 flat angles P-C4'-P energy: -67.841 tors. eta vs tors. theta energy: 19.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -3087.151666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.151666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.151666 (E_RNA) where: Base-Base interactions energy: -2190.643 where: short stacking energy: -856.474 Base-Backbone interact. energy: -5.091 local terms energy: -891.418088 where: bonds (distance) C4'-P energy: -166.411 bonds (distance) P-C4' energy: -179.501 flat angles C4'-P-C4' energy: -176.558 flat angles P-C4'-P energy: -133.990 tors. eta vs tors. theta energy: -234.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2825.743823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.743823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.743823 (E_RNA) where: Base-Base interactions energy: -1969.639 where: short stacking energy: -810.421 Base-Backbone interact. energy: -6.342 local terms energy: -849.762434 where: bonds (distance) C4'-P energy: -155.981 bonds (distance) P-C4' energy: -180.592 flat angles C4'-P-C4' energy: -176.614 flat angles P-C4'-P energy: -106.132 tors. eta vs tors. theta energy: -230.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2713.938155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.938155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.938155 (E_RNA) where: Base-Base interactions energy: -1883.332 where: short stacking energy: -777.054 Base-Backbone interact. energy: -0.769 local terms energy: -829.836818 where: bonds (distance) C4'-P energy: -148.030 bonds (distance) P-C4' energy: -159.839 flat angles C4'-P-C4' energy: -183.613 flat angles P-C4'-P energy: -126.599 tors. eta vs tors. theta energy: -211.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2561.138062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.138062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.138062 (E_RNA) where: Base-Base interactions energy: -1757.787 where: short stacking energy: -746.362 Base-Backbone interact. energy: 0.450 local terms energy: -803.800842 where: bonds (distance) C4'-P energy: -130.863 bonds (distance) P-C4' energy: -164.024 flat angles C4'-P-C4' energy: -180.275 flat angles P-C4'-P energy: -118.424 tors. eta vs tors. theta energy: -210.214 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: 8 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2374.173949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.173949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.173949 (E_RNA) where: Base-Base interactions energy: -1609.582 where: short stacking energy: -676.797 Base-Backbone interact. energy: -1.491 local terms energy: -763.100669 where: bonds (distance) C4'-P energy: -147.985 bonds (distance) P-C4' energy: -132.290 flat angles C4'-P-C4' energy: -171.633 flat angles P-C4'-P energy: -116.742 tors. eta vs tors. theta energy: -194.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -2220.896108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.896108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.896108 (E_RNA) where: Base-Base interactions energy: -1521.424 where: short stacking energy: -635.892 Base-Backbone interact. energy: -2.583 local terms energy: -696.888493 where: bonds (distance) C4'-P energy: -128.608 bonds (distance) P-C4' energy: -155.003 flat angles C4'-P-C4' energy: -152.176 flat angles P-C4'-P energy: -98.982 tors. eta vs tors. theta energy: -162.120 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: 9 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -2011.826790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.826790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.826790 (E_RNA) where: Base-Base interactions energy: -1336.913 where: short stacking energy: -583.531 Base-Backbone interact. energy: -0.807 local terms energy: -674.107101 where: bonds (distance) C4'-P energy: -125.713 bonds (distance) P-C4' energy: -151.595 flat angles C4'-P-C4' energy: -151.573 flat angles P-C4'-P energy: -105.596 tors. eta vs tors. theta energy: -139.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1651.435908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.435908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.435908 (E_RNA) where: Base-Base interactions energy: -1059.321 where: short stacking energy: -476.601 Base-Backbone interact. energy: 0.465 local terms energy: -592.580026 where: bonds (distance) C4'-P energy: -113.000 bonds (distance) P-C4' energy: -157.930 flat angles C4'-P-C4' energy: -143.860 flat angles P-C4'-P energy: -94.388 tors. eta vs tors. theta energy: -83.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1178.079539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.079539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.079539 (E_RNA) where: Base-Base interactions energy: -675.055 where: short stacking energy: -339.252 Base-Backbone interact. energy: -1.394 local terms energy: -501.630637 where: bonds (distance) C4'-P energy: -124.397 bonds (distance) P-C4' energy: -144.137 flat angles C4'-P-C4' energy: -134.516 flat angles P-C4'-P energy: -71.791 tors. eta vs tors. theta energy: -26.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -655.938571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.938571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.938571 (E_RNA) where: Base-Base interactions energy: -241.817 where: short stacking energy: -166.863 Base-Backbone interact. energy: -0.433 local terms energy: -413.688463 where: bonds (distance) C4'-P energy: -139.631 bonds (distance) P-C4' energy: -149.476 flat angles C4'-P-C4' energy: -91.731 flat angles P-C4'-P energy: -67.163 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: 1, replica: 3 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -3044.033461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.033461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.033461 (E_RNA) where: Base-Base interactions energy: -2145.410 where: short stacking energy: -858.990 Base-Backbone interact. energy: -5.405 local terms energy: -893.218852 where: bonds (distance) C4'-P energy: -157.094 bonds (distance) P-C4' energy: -177.197 flat angles C4'-P-C4' energy: -190.292 flat angles P-C4'-P energy: -124.590 tors. eta vs tors. theta energy: -244.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2858.995292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.995292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.995292 (E_RNA) where: Base-Base interactions energy: -1961.654 where: short stacking energy: -837.460 Base-Backbone interact. energy: -3.387 local terms energy: -893.953840 where: bonds (distance) C4'-P energy: -171.039 bonds (distance) P-C4' energy: -163.790 flat angles C4'-P-C4' energy: -186.894 flat angles P-C4'-P energy: -130.411 tors. eta vs tors. theta energy: -241.820 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: 3, replica: 1 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2745.915568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.915568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.915568 (E_RNA) where: Base-Base interactions energy: -1929.549 where: short stacking energy: -803.438 Base-Backbone interact. energy: -3.320 local terms energy: -813.046379 where: bonds (distance) C4'-P energy: -144.395 bonds (distance) P-C4' energy: -167.443 flat angles C4'-P-C4' energy: -179.113 flat angles P-C4'-P energy: -112.135 tors. eta vs tors. theta energy: -209.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2575.601996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.601996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.601996 (E_RNA) where: Base-Base interactions energy: -1781.428 where: short stacking energy: -732.386 Base-Backbone interact. energy: -6.219 local terms energy: -787.955088 where: bonds (distance) C4'-P energy: -151.526 bonds (distance) P-C4' energy: -153.080 flat angles C4'-P-C4' energy: -167.755 flat angles P-C4'-P energy: -120.079 tors. eta vs tors. theta energy: -195.515 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: 8 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2359.199802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.199802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.199802 (E_RNA) where: Base-Base interactions energy: -1596.355 where: short stacking energy: -674.836 Base-Backbone interact. energy: -4.954 local terms energy: -757.890361 where: bonds (distance) C4'-P energy: -132.157 bonds (distance) P-C4' energy: -168.160 flat angles C4'-P-C4' energy: -171.306 flat angles P-C4'-P energy: -107.370 tors. eta vs tors. theta energy: -178.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -2271.923320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.923320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.923320 (E_RNA) where: Base-Base interactions energy: -1541.727 where: short stacking energy: -686.336 Base-Backbone interact. energy: -0.479 local terms energy: -729.716745 where: bonds (distance) C4'-P energy: -113.579 bonds (distance) P-C4' energy: -155.087 flat angles C4'-P-C4' energy: -163.143 flat angles P-C4'-P energy: -113.597 tors. eta vs tors. theta energy: -184.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -2051.619700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.619700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.619700 (E_RNA) where: Base-Base interactions energy: -1376.852 where: short stacking energy: -619.106 Base-Backbone interact. energy: -3.682 local terms energy: -672.476663 where: bonds (distance) C4'-P energy: -143.801 bonds (distance) P-C4' energy: -133.855 flat angles C4'-P-C4' energy: -156.118 flat angles P-C4'-P energy: -105.198 tors. eta vs tors. theta energy: -133.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.391 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1635.150013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.150013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.150013 (E_RNA) where: Base-Base interactions energy: -1034.775 where: short stacking energy: -450.935 Base-Backbone interact. energy: 3.362 local terms energy: -603.736773 where: bonds (distance) C4'-P energy: -137.723 bonds (distance) P-C4' energy: -159.951 flat angles C4'-P-C4' energy: -139.963 flat angles P-C4'-P energy: -81.786 tors. eta vs tors. theta energy: -84.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1253.206404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.206404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.206404 (E_RNA) where: Base-Base interactions energy: -720.626 where: short stacking energy: -362.079 Base-Backbone interact. energy: 2.991 local terms energy: -535.570681 where: bonds (distance) C4'-P energy: -123.493 bonds (distance) P-C4' energy: -150.803 flat angles C4'-P-C4' energy: -140.848 flat angles P-C4'-P energy: -87.785 tors. eta vs tors. theta energy: -32.642 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: 10, replica: 10 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -607.629490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.629490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.629490 (E_RNA) where: Base-Base interactions energy: -226.088 where: short stacking energy: -178.894 Base-Backbone interact. energy: 11.428 local terms energy: -392.969125 where: bonds (distance) C4'-P energy: -137.302 bonds (distance) P-C4' energy: -130.842 flat angles C4'-P-C4' energy: -108.730 flat angles P-C4'-P energy: -53.741 tors. eta vs tors. theta energy: 37.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -3043.492487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.492487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.492487 (E_RNA) where: Base-Base interactions energy: -2157.646 where: short stacking energy: -853.567 Base-Backbone interact. energy: -5.679 local terms energy: -880.167416 where: bonds (distance) C4'-P energy: -160.428 bonds (distance) P-C4' energy: -161.307 flat angles C4'-P-C4' energy: -185.139 flat angles P-C4'-P energy: -140.750 tors. eta vs tors. theta energy: -232.544 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: 421 Temperature: 0.950000 Total energy: -2835.198805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.198805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.198805 (E_RNA) where: Base-Base interactions energy: -1998.640 where: short stacking energy: -832.006 Base-Backbone interact. energy: 2.579 local terms energy: -839.137482 where: bonds (distance) C4'-P energy: -156.785 bonds (distance) P-C4' energy: -160.902 flat angles C4'-P-C4' energy: -172.125 flat angles P-C4'-P energy: -115.004 tors. eta vs tors. theta energy: -234.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2737.618381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.618381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.618381 (E_RNA) where: Base-Base interactions energy: -1856.532 where: short stacking energy: -795.854 Base-Backbone interact. energy: -3.477 local terms energy: -877.608785 where: bonds (distance) C4'-P energy: -168.445 bonds (distance) P-C4' energy: -177.965 flat angles C4'-P-C4' energy: -175.865 flat angles P-C4'-P energy: -127.989 tors. eta vs tors. theta energy: -227.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2593.094560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.094560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.094560 (E_RNA) where: Base-Base interactions energy: -1794.675 where: short stacking energy: -748.988 Base-Backbone interact. energy: -0.316 local terms energy: -798.103748 where: bonds (distance) C4'-P energy: -142.368 bonds (distance) P-C4' energy: -160.931 flat angles C4'-P-C4' energy: -167.578 flat angles P-C4'-P energy: -107.872 tors. eta vs tors. theta energy: -219.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2355.462488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.462488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.462488 (E_RNA) where: Base-Base interactions energy: -1602.274 where: short stacking energy: -694.779 Base-Backbone interact. energy: -0.166 local terms energy: -753.023020 where: bonds (distance) C4'-P energy: -129.314 bonds (distance) P-C4' energy: -164.644 flat angles C4'-P-C4' energy: -166.476 flat angles P-C4'-P energy: -117.830 tors. eta vs tors. theta energy: -174.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -2238.597291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.597291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.597291 (E_RNA) where: Base-Base interactions energy: -1534.566 where: short stacking energy: -648.825 Base-Backbone interact. energy: -0.351 local terms energy: -703.680545 where: bonds (distance) C4'-P energy: -149.139 bonds (distance) P-C4' energy: -133.356 flat angles C4'-P-C4' energy: -164.478 flat angles P-C4'-P energy: -95.012 tors. eta vs tors. theta energy: -161.696 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: 9 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -2116.470264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.470264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.470264 (E_RNA) where: Base-Base interactions energy: -1448.351 where: short stacking energy: -642.227 Base-Backbone interact. energy: -0.727 local terms energy: -667.392009 where: bonds (distance) C4'-P energy: -149.847 bonds (distance) P-C4' energy: -148.286 flat angles C4'-P-C4' energy: -148.183 flat angles P-C4'-P energy: -83.355 tors. eta vs tors. theta energy: -137.721 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: 421 Temperature: 1.250000 Total energy: -1645.199475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.199475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.199475 (E_RNA) where: Base-Base interactions energy: -1049.997 where: short stacking energy: -450.583 Base-Backbone interact. energy: -1.711 local terms energy: -593.491740 where: bonds (distance) C4'-P energy: -122.459 bonds (distance) P-C4' energy: -162.014 flat angles C4'-P-C4' energy: -124.729 flat angles P-C4'-P energy: -96.763 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: 2 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1324.181824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.181824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.181824 (E_RNA) where: Base-Base interactions energy: -792.525 where: short stacking energy: -362.117 Base-Backbone interact. energy: 1.412 local terms energy: -533.068973 where: bonds (distance) C4'-P energy: -135.676 bonds (distance) P-C4' energy: -140.321 flat angles C4'-P-C4' energy: -123.326 flat angles P-C4'-P energy: -64.852 tors. eta vs tors. theta energy: -68.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -605.067688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.067688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.067688 (E_RNA) where: Base-Base interactions energy: -183.220 where: short stacking energy: -141.393 Base-Backbone interact. energy: -1.490 local terms energy: -420.358169 where: bonds (distance) C4'-P energy: -137.515 bonds (distance) P-C4' energy: -149.896 flat angles C4'-P-C4' energy: -129.770 flat angles P-C4'-P energy: -42.507 tors. eta vs tors. theta energy: 39.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -3074.766319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.766319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.766319 (E_RNA) where: Base-Base interactions energy: -2181.054 where: short stacking energy: -869.686 Base-Backbone interact. energy: -3.744 local terms energy: -889.968657 where: bonds (distance) C4'-P energy: -154.701 bonds (distance) P-C4' energy: -166.472 flat angles C4'-P-C4' energy: -185.261 flat angles P-C4'-P energy: -141.343 tors. eta vs tors. theta energy: -242.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2842.640439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.640439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.640439 (E_RNA) where: Base-Base interactions energy: -1983.129 where: short stacking energy: -812.276 Base-Backbone interact. energy: -0.312 local terms energy: -859.199543 where: bonds (distance) C4'-P energy: -157.784 bonds (distance) P-C4' energy: -181.292 flat angles C4'-P-C4' energy: -177.630 flat angles P-C4'-P energy: -108.500 tors. eta vs tors. theta energy: -233.994 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: 3, replica: 1 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2686.957579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.957579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.957579 (E_RNA) where: Base-Base interactions energy: -1883.248 where: short stacking energy: -778.688 Base-Backbone interact. energy: -3.441 local terms energy: -800.268479 where: bonds (distance) C4'-P energy: -158.626 bonds (distance) P-C4' energy: -144.952 flat angles C4'-P-C4' energy: -169.290 flat angles P-C4'-P energy: -117.188 tors. eta vs tors. theta energy: -210.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2566.201056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.201056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.201056 (E_RNA) where: Base-Base interactions energy: -1743.737 where: short stacking energy: -724.785 Base-Backbone interact. energy: -3.241 local terms energy: -819.223377 where: bonds (distance) C4'-P energy: -155.876 bonds (distance) P-C4' energy: -167.888 flat angles C4'-P-C4' energy: -174.810 flat angles P-C4'-P energy: -108.397 tors. eta vs tors. theta energy: -212.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2329.781196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.781196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.781196 (E_RNA) where: Base-Base interactions energy: -1591.153 where: short stacking energy: -668.041 Base-Backbone interact. energy: -0.735 local terms energy: -737.893203 where: bonds (distance) C4'-P energy: -133.217 bonds (distance) P-C4' energy: -148.781 flat angles C4'-P-C4' energy: -174.475 flat angles P-C4'-P energy: -102.862 tors. eta vs tors. theta energy: -178.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -2255.344085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.344085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.344085 (E_RNA) where: Base-Base interactions energy: -1531.087 where: short stacking energy: -637.169 Base-Backbone interact. energy: -3.947 local terms energy: -720.309606 where: bonds (distance) C4'-P energy: -127.949 bonds (distance) P-C4' energy: -154.787 flat angles C4'-P-C4' energy: -159.938 flat angles P-C4'-P energy: -111.084 tors. eta vs tors. theta energy: -166.552 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: 9 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -2178.430067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.430067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.430067 (E_RNA) where: Base-Base interactions energy: -1477.129 where: short stacking energy: -657.765 Base-Backbone interact. energy: 5.000 local terms energy: -706.301532 where: bonds (distance) C4'-P energy: -142.001 bonds (distance) P-C4' energy: -142.414 flat angles C4'-P-C4' energy: -157.824 flat angles P-C4'-P energy: -96.350 tors. eta vs tors. theta energy: -167.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1711.090426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.090426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.090426 (E_RNA) where: Base-Base interactions energy: -1100.937 where: short stacking energy: -489.423 Base-Backbone interact. energy: 1.359 local terms energy: -611.898127 where: bonds (distance) C4'-P energy: -136.361 bonds (distance) P-C4' energy: -139.264 flat angles C4'-P-C4' energy: -147.211 flat angles P-C4'-P energy: -84.166 tors. eta vs tors. theta energy: -104.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.385 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1235.649209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.649209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.649209 (E_RNA) where: Base-Base interactions energy: -719.150 where: short stacking energy: -345.868 Base-Backbone interact. energy: -4.060 local terms energy: -512.439221 where: bonds (distance) C4'-P energy: -141.873 bonds (distance) P-C4' energy: -150.984 flat angles C4'-P-C4' energy: -123.228 flat angles P-C4'-P energy: -51.501 tors. eta vs tors. theta energy: -44.853 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: 10 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -664.938586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.938586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.938586 (E_RNA) where: Base-Base interactions energy: -232.681 where: short stacking energy: -147.165 Base-Backbone interact. energy: 0.580 local terms energy: -432.837909 where: bonds (distance) C4'-P energy: -135.769 bonds (distance) P-C4' energy: -154.473 flat angles C4'-P-C4' energy: -122.791 flat angles P-C4'-P energy: -59.500 tors. eta vs tors. theta energy: 39.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -3052.939283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.939283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.939283 (E_RNA) where: Base-Base interactions energy: -2172.410 where: short stacking energy: -852.737 Base-Backbone interact. energy: -4.217 local terms energy: -876.312166 where: bonds (distance) C4'-P energy: -167.044 bonds (distance) P-C4' energy: -168.979 flat angles C4'-P-C4' energy: -190.860 flat angles P-C4'-P energy: -115.310 tors. eta vs tors. theta energy: -234.118 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: 5 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2884.281121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.281121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.281121 (E_RNA) where: Base-Base interactions energy: -2019.497 where: short stacking energy: -847.513 Base-Backbone interact. energy: -4.047 local terms energy: -860.736644 where: bonds (distance) C4'-P energy: -145.435 bonds (distance) P-C4' energy: -146.352 flat angles C4'-P-C4' energy: -200.551 flat angles P-C4'-P energy: -123.757 tors. eta vs tors. theta energy: -244.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2727.017421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.017421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.017421 (E_RNA) where: Base-Base interactions energy: -1893.893 where: short stacking energy: -766.536 Base-Backbone interact. energy: -4.051 local terms energy: -829.073296 where: bonds (distance) C4'-P energy: -153.528 bonds (distance) P-C4' energy: -170.871 flat angles C4'-P-C4' energy: -177.050 flat angles P-C4'-P energy: -116.285 tors. eta vs tors. theta energy: -211.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2575.767958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.767958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.767958 (E_RNA) where: Base-Base interactions energy: -1767.276 where: short stacking energy: -739.701 Base-Backbone interact. energy: -5.195 local terms energy: -803.296599 where: bonds (distance) C4'-P energy: -158.960 bonds (distance) P-C4' energy: -161.450 flat angles C4'-P-C4' energy: -162.744 flat angles P-C4'-P energy: -113.355 tors. eta vs tors. theta energy: -206.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2291.418341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.418341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.418341 (E_RNA) where: Base-Base interactions energy: -1574.917 where: short stacking energy: -666.331 Base-Backbone interact. energy: -0.947 local terms energy: -715.554465 where: bonds (distance) C4'-P energy: -112.325 bonds (distance) P-C4' energy: -153.017 flat angles C4'-P-C4' energy: -161.671 flat angles P-C4'-P energy: -118.805 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: 6, replica: 4 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -2270.345435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.345435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.345435 (E_RNA) where: Base-Base interactions energy: -1559.071 where: short stacking energy: -676.797 Base-Backbone interact. energy: 2.484 local terms energy: -713.758699 where: bonds (distance) C4'-P energy: -131.750 bonds (distance) P-C4' energy: -143.062 flat angles C4'-P-C4' energy: -160.517 flat angles P-C4'-P energy: -107.997 tors. eta vs tors. theta energy: -170.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -2170.495099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.495099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.495099 (E_RNA) where: Base-Base interactions energy: -1489.377 where: short stacking energy: -638.544 Base-Backbone interact. energy: 1.572 local terms energy: -682.690844 where: bonds (distance) C4'-P energy: -130.440 bonds (distance) P-C4' energy: -165.010 flat angles C4'-P-C4' energy: -141.043 flat angles P-C4'-P energy: -95.462 tors. eta vs tors. theta energy: -150.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1717.000692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.000692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.000692 (E_RNA) where: Base-Base interactions energy: -1130.193 where: short stacking energy: -507.974 Base-Backbone interact. energy: 1.230 local terms energy: -588.037738 where: bonds (distance) C4'-P energy: -119.535 bonds (distance) P-C4' energy: -139.992 flat angles C4'-P-C4' energy: -134.635 flat angles P-C4'-P energy: -102.356 tors. eta vs tors. theta energy: -91.519 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: 2 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1247.736935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.736935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.736935 (E_RNA) where: Base-Base interactions energy: -731.607 where: short stacking energy: -331.577 Base-Backbone interact. energy: -0.594 local terms energy: -515.536691 where: bonds (distance) C4'-P energy: -131.565 bonds (distance) P-C4' energy: -165.776 flat angles C4'-P-C4' energy: -122.008 flat angles P-C4'-P energy: -78.288 tors. eta vs tors. theta energy: -17.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -601.033361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.033361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.033361 (E_RNA) where: Base-Base interactions energy: -206.510 where: short stacking energy: -165.785 Base-Backbone interact. energy: 4.725 local terms energy: -399.248307 where: bonds (distance) C4'-P energy: -123.779 bonds (distance) P-C4' energy: -139.093 flat angles C4'-P-C4' energy: -90.758 flat angles P-C4'-P energy: -75.202 tors. eta vs tors. theta energy: 29.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -3049.119133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.119133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.119133 (E_RNA) where: Base-Base interactions energy: -2168.625 where: short stacking energy: -857.223 Base-Backbone interact. energy: -4.051 local terms energy: -876.442820 where: bonds (distance) C4'-P energy: -135.078 bonds (distance) P-C4' energy: -182.127 flat angles C4'-P-C4' energy: -183.654 flat angles P-C4'-P energy: -134.215 tors. eta vs tors. theta energy: -241.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2879.780061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.780061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.780061 (E_RNA) where: Base-Base interactions energy: -1951.055 where: short stacking energy: -823.003 Base-Backbone interact. energy: -8.948 local terms energy: -919.776982 where: bonds (distance) C4'-P energy: -172.062 bonds (distance) P-C4' energy: -189.706 flat angles C4'-P-C4' energy: -200.060 flat angles P-C4'-P energy: -132.386 tors. eta vs tors. theta energy: -225.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2732.946757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.946757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.946757 (E_RNA) where: Base-Base interactions energy: -1925.534 where: short stacking energy: -792.327 Base-Backbone interact. energy: 2.664 local terms energy: -810.077205 where: bonds (distance) C4'-P energy: -146.373 bonds (distance) P-C4' energy: -150.740 flat angles C4'-P-C4' energy: -186.121 flat angles P-C4'-P energy: -115.329 tors. eta vs tors. theta energy: -211.514 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: 7 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2557.492754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.492754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.492754 (E_RNA) where: Base-Base interactions energy: -1764.700 where: short stacking energy: -716.405 Base-Backbone interact. energy: -1.658 local terms energy: -791.135435 where: bonds (distance) C4'-P energy: -136.720 bonds (distance) P-C4' energy: -173.672 flat angles C4'-P-C4' energy: -174.472 flat angles P-C4'-P energy: -114.898 tors. eta vs tors. theta energy: -191.373 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: 8 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2281.267606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.267606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.267606 (E_RNA) where: Base-Base interactions energy: -1547.786 where: short stacking energy: -658.463 Base-Backbone interact. energy: -2.790 local terms energy: -730.691708 where: bonds (distance) C4'-P energy: -144.461 bonds (distance) P-C4' energy: -165.765 flat angles C4'-P-C4' energy: -154.835 flat angles P-C4'-P energy: -101.290 tors. eta vs tors. theta energy: -164.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2265.714332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.714332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.714332 (E_RNA) where: Base-Base interactions energy: -1499.160 where: short stacking energy: -637.128 Base-Backbone interact. energy: 2.067 local terms energy: -768.620807 where: bonds (distance) C4'-P energy: -138.732 bonds (distance) P-C4' energy: -166.430 flat angles C4'-P-C4' energy: -172.074 flat angles P-C4'-P energy: -121.058 tors. eta vs tors. theta energy: -170.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -2081.095448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.095448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.095448 (E_RNA) where: Base-Base interactions energy: -1399.598 where: short stacking energy: -598.633 Base-Backbone interact. energy: 2.458 local terms energy: -683.955202 where: bonds (distance) C4'-P energy: -138.143 bonds (distance) P-C4' energy: -158.695 flat angles C4'-P-C4' energy: -142.594 flat angles P-C4'-P energy: -96.522 tors. eta vs tors. theta energy: -148.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1681.626719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.626719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.626719 (E_RNA) where: Base-Base interactions energy: -1055.287 where: short stacking energy: -474.235 Base-Backbone interact. energy: 5.079 local terms energy: -631.419244 where: bonds (distance) C4'-P energy: -138.372 bonds (distance) P-C4' energy: -150.743 flat angles C4'-P-C4' energy: -139.346 flat angles P-C4'-P energy: -95.088 tors. eta vs tors. theta energy: -107.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1200.208199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.208199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.208199 (E_RNA) where: Base-Base interactions energy: -694.906 where: short stacking energy: -312.464 Base-Backbone interact. energy: 1.142 local terms energy: -506.489751 where: bonds (distance) C4'-P energy: -125.038 bonds (distance) P-C4' energy: -149.871 flat angles C4'-P-C4' energy: -122.774 flat angles P-C4'-P energy: -80.158 tors. eta vs tors. theta energy: -28.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.045 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -595.716314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.716314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.716314 (E_RNA) where: Base-Base interactions energy: -216.517 where: short stacking energy: -178.563 Base-Backbone interact. energy: 1.217 local terms energy: -380.415998 where: bonds (distance) C4'-P energy: -125.992 bonds (distance) P-C4' energy: -130.521 flat angles C4'-P-C4' energy: -105.479 flat angles P-C4'-P energy: -63.820 tors. eta vs tors. theta energy: 45.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -3013.102896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.102896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.102896 (E_RNA) where: Base-Base interactions energy: -2122.680 where: short stacking energy: -847.426 Base-Backbone interact. energy: -4.940 local terms energy: -885.483474 where: bonds (distance) C4'-P energy: -157.464 bonds (distance) P-C4' energy: -179.450 flat angles C4'-P-C4' energy: -177.769 flat angles P-C4'-P energy: -134.592 tors. eta vs tors. theta energy: -236.208 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: 2, replica: 5 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2840.627179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.627179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.627179 (E_RNA) where: Base-Base interactions energy: -1984.853 where: short stacking energy: -834.775 Base-Backbone interact. energy: -5.079 local terms energy: -850.695389 where: bonds (distance) C4'-P energy: -150.543 bonds (distance) P-C4' energy: -164.221 flat angles C4'-P-C4' energy: -193.019 flat angles P-C4'-P energy: -111.586 tors. eta vs tors. theta energy: -231.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2742.803920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.803920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.803920 (E_RNA) where: Base-Base interactions energy: -1922.106 where: short stacking energy: -797.971 Base-Backbone interact. energy: -6.713 local terms energy: -813.984647 where: bonds (distance) C4'-P energy: -147.167 bonds (distance) P-C4' energy: -170.421 flat angles C4'-P-C4' energy: -170.501 flat angles P-C4'-P energy: -105.180 tors. eta vs tors. theta energy: -220.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2542.305635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.305635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.305635 (E_RNA) where: Base-Base interactions energy: -1767.432 where: short stacking energy: -725.356 Base-Backbone interact. energy: -5.901 local terms energy: -768.972482 where: bonds (distance) C4'-P energy: -147.982 bonds (distance) P-C4' energy: -148.547 flat angles C4'-P-C4' energy: -173.696 flat angles P-C4'-P energy: -95.783 tors. eta vs tors. theta energy: -202.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2303.086933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.086933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.086933 (E_RNA) where: Base-Base interactions energy: -1575.578 where: short stacking energy: -676.429 Base-Backbone interact. energy: -1.690 local terms energy: -725.819031 where: bonds (distance) C4'-P energy: -135.203 bonds (distance) P-C4' energy: -157.402 flat angles C4'-P-C4' energy: -156.026 flat angles P-C4'-P energy: -114.580 tors. eta vs tors. theta energy: -162.608 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: 4 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -2277.580206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.580206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.580206 (E_RNA) where: Base-Base interactions energy: -1568.303 where: short stacking energy: -694.010 Base-Backbone interact. energy: -5.025 local terms energy: -704.252205 where: bonds (distance) C4'-P energy: -132.155 bonds (distance) P-C4' energy: -148.623 flat angles C4'-P-C4' energy: -153.332 flat angles P-C4'-P energy: -95.621 tors. eta vs tors. theta energy: -174.522 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: 9 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -2094.344677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.344677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.344677 (E_RNA) where: Base-Base interactions energy: -1419.223 where: short stacking energy: -609.171 Base-Backbone interact. energy: -4.039 local terms energy: -671.081905 where: bonds (distance) C4'-P energy: -141.991 bonds (distance) P-C4' energy: -143.294 flat angles C4'-P-C4' energy: -138.979 flat angles P-C4'-P energy: -99.005 tors. eta vs tors. theta energy: -147.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1625.400690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.400690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.400690 (E_RNA) where: Base-Base interactions energy: -1031.031 where: short stacking energy: -452.637 Base-Backbone interact. energy: -3.715 local terms energy: -590.655118 where: bonds (distance) C4'-P energy: -147.025 bonds (distance) P-C4' energy: -157.449 flat angles C4'-P-C4' energy: -127.314 flat angles P-C4'-P energy: -89.333 tors. eta vs tors. theta energy: -69.534 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: 2 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1187.610679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.610679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.610679 (E_RNA) where: Base-Base interactions energy: -687.474 where: short stacking energy: -351.586 Base-Backbone interact. energy: 1.975 local terms energy: -502.111263 where: bonds (distance) C4'-P energy: -114.819 bonds (distance) P-C4' energy: -129.791 flat angles C4'-P-C4' energy: -130.808 flat angles P-C4'-P energy: -87.095 tors. eta vs tors. theta energy: -39.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -605.525007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.525007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.525007 (E_RNA) where: Base-Base interactions energy: -195.453 where: short stacking energy: -174.545 Base-Backbone interact. energy: 3.452 local terms energy: -413.523980 where: bonds (distance) C4'-P energy: -126.265 bonds (distance) P-C4' energy: -147.187 flat angles C4'-P-C4' energy: -111.708 flat angles P-C4'-P energy: -68.233 tors. eta vs tors. theta energy: 39.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -3017.920258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.920258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.920258 (E_RNA) where: Base-Base interactions energy: -2135.103 where: short stacking energy: -842.252 Base-Backbone interact. energy: -6.364 local terms energy: -876.453392 where: bonds (distance) C4'-P energy: -147.079 bonds (distance) P-C4' energy: -170.756 flat angles C4'-P-C4' energy: -190.411 flat angles P-C4'-P energy: -133.027 tors. eta vs tors. theta energy: -235.181 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: 426 Temperature: 0.950000 Total energy: -2838.495460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.495460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.495460 (E_RNA) where: Base-Base interactions energy: -1980.791 where: short stacking energy: -798.615 Base-Backbone interact. energy: -4.465 local terms energy: -853.239668 where: bonds (distance) C4'-P energy: -153.188 bonds (distance) P-C4' energy: -179.578 flat angles C4'-P-C4' energy: -168.893 flat angles P-C4'-P energy: -121.680 tors. eta vs tors. theta energy: -229.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2751.895367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.895367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.895367 (E_RNA) where: Base-Base interactions energy: -1911.035 where: short stacking energy: -790.500 Base-Backbone interact. energy: -0.484 local terms energy: -840.376601 where: bonds (distance) C4'-P energy: -149.861 bonds (distance) P-C4' energy: -178.373 flat angles C4'-P-C4' energy: -181.008 flat angles P-C4'-P energy: -111.690 tors. eta vs tors. theta energy: -219.445 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: 7 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2581.601353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.601353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.601353 (E_RNA) where: Base-Base interactions energy: -1765.593 where: short stacking energy: -752.065 Base-Backbone interact. energy: -1.967 local terms energy: -814.041505 where: bonds (distance) C4'-P energy: -121.492 bonds (distance) P-C4' energy: -170.280 flat angles C4'-P-C4' energy: -175.193 flat angles P-C4'-P energy: -121.250 tors. eta vs tors. theta energy: -225.828 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: 4 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2341.353923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.353923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.353923 (E_RNA) where: Base-Base interactions energy: -1581.471 where: short stacking energy: -683.509 Base-Backbone interact. energy: 0.630 local terms energy: -760.513649 where: bonds (distance) C4'-P energy: -141.028 bonds (distance) P-C4' energy: -160.832 flat angles C4'-P-C4' energy: -166.940 flat angles P-C4'-P energy: -112.505 tors. eta vs tors. theta energy: -179.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -2294.159277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.159277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.159277 (E_RNA) where: Base-Base interactions energy: -1586.385 where: short stacking energy: -651.006 Base-Backbone interact. energy: -0.322 local terms energy: -707.452553 where: bonds (distance) C4'-P energy: -138.991 bonds (distance) P-C4' energy: -156.677 flat angles C4'-P-C4' energy: -148.822 flat angles P-C4'-P energy: -103.572 tors. eta vs tors. theta energy: -159.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -2124.730102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.730102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.730102 (E_RNA) where: Base-Base interactions energy: -1454.382 where: short stacking energy: -646.116 Base-Backbone interact. energy: 1.104 local terms energy: -671.452069 where: bonds (distance) C4'-P energy: -127.924 bonds (distance) P-C4' energy: -153.183 flat angles C4'-P-C4' energy: -152.830 flat angles P-C4'-P energy: -87.874 tors. eta vs tors. theta energy: -149.642 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: 6 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1598.269920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.269920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.269920 (E_RNA) where: Base-Base interactions energy: -1003.192 where: short stacking energy: -434.778 Base-Backbone interact. energy: -0.183 local terms energy: -594.894538 where: bonds (distance) C4'-P energy: -133.150 bonds (distance) P-C4' energy: -145.221 flat angles C4'-P-C4' energy: -150.504 flat angles P-C4'-P energy: -82.764 tors. eta vs tors. theta energy: -83.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1270.781998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.781998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.781998 (E_RNA) where: Base-Base interactions energy: -756.885 where: short stacking energy: -374.048 Base-Backbone interact. energy: 2.091 local terms energy: -516.058155 where: bonds (distance) C4'-P energy: -111.888 bonds (distance) P-C4' energy: -160.967 flat angles C4'-P-C4' energy: -109.439 flat angles P-C4'-P energy: -69.436 tors. eta vs tors. theta energy: -64.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.071 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -622.287474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.287474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.287474 (E_RNA) where: Base-Base interactions energy: -178.563 where: short stacking energy: -158.264 Base-Backbone interact. energy: 0.216 local terms energy: -443.941333 where: bonds (distance) C4'-P energy: -142.752 bonds (distance) P-C4' energy: -147.653 flat angles C4'-P-C4' energy: -108.330 flat angles P-C4'-P energy: -79.437 tors. eta vs tors. theta energy: 34.231 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: 1, replica: 3 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -3031.824895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.824895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.824895 (E_RNA) where: Base-Base interactions energy: -2162.329 where: short stacking energy: -849.721 Base-Backbone interact. energy: -6.276 local terms energy: -863.219923 where: bonds (distance) C4'-P energy: -148.607 bonds (distance) P-C4' energy: -165.545 flat angles C4'-P-C4' energy: -181.203 flat angles P-C4'-P energy: -127.293 tors. eta vs tors. theta energy: -240.573 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: 427 Temperature: 0.950000 Total energy: -2837.024932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.024932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.024932 (E_RNA) where: Base-Base interactions energy: -1981.667 where: short stacking energy: -818.974 Base-Backbone interact. energy: -6.216 local terms energy: -849.141365 where: bonds (distance) C4'-P energy: -142.761 bonds (distance) P-C4' energy: -165.177 flat angles C4'-P-C4' energy: -173.385 flat angles P-C4'-P energy: -137.439 tors. eta vs tors. theta energy: -230.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2755.282054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.282054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.282054 (E_RNA) where: Base-Base interactions energy: -1901.993 where: short stacking energy: -778.461 Base-Backbone interact. energy: -0.715 local terms energy: -852.574354 where: bonds (distance) C4'-P energy: -148.349 bonds (distance) P-C4' energy: -178.142 flat angles C4'-P-C4' energy: -177.933 flat angles P-C4'-P energy: -126.888 tors. eta vs tors. theta energy: -221.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2550.964466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.964466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.964466 (E_RNA) where: Base-Base interactions energy: -1772.771 where: short stacking energy: -715.408 Base-Backbone interact. energy: -0.611 local terms energy: -777.582626 where: bonds (distance) C4'-P energy: -149.931 bonds (distance) P-C4' energy: -178.120 flat angles C4'-P-C4' energy: -156.839 flat angles P-C4'-P energy: -101.203 tors. eta vs tors. theta energy: -191.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2344.477747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.477747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.477747 (E_RNA) where: Base-Base interactions energy: -1577.159 where: short stacking energy: -666.629 Base-Backbone interact. energy: 4.499 local terms energy: -771.818149 where: bonds (distance) C4'-P energy: -144.773 bonds (distance) P-C4' energy: -175.570 flat angles C4'-P-C4' energy: -160.127 flat angles P-C4'-P energy: -112.334 tors. eta vs tors. theta energy: -179.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -2287.919178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.919178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.919178 (E_RNA) where: Base-Base interactions energy: -1620.701 where: short stacking energy: -705.081 Base-Backbone interact. energy: 0.010 local terms energy: -667.227991 where: bonds (distance) C4'-P energy: -127.617 bonds (distance) P-C4' energy: -142.991 flat angles C4'-P-C4' energy: -139.272 flat angles P-C4'-P energy: -86.362 tors. eta vs tors. theta energy: -170.985 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: 9 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -2144.103962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.103962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.103962 (E_RNA) where: Base-Base interactions energy: -1481.418 where: short stacking energy: -643.702 Base-Backbone interact. energy: 0.294 local terms energy: -662.980310 where: bonds (distance) C4'-P energy: -113.803 bonds (distance) P-C4' energy: -156.642 flat angles C4'-P-C4' energy: -133.881 flat angles P-C4'-P energy: -93.799 tors. eta vs tors. theta energy: -164.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1635.780721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.780721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.780721 (E_RNA) where: Base-Base interactions energy: -1016.051 where: short stacking energy: -476.749 Base-Backbone interact. energy: 2.011 local terms energy: -621.949508 where: bonds (distance) C4'-P energy: -129.831 bonds (distance) P-C4' energy: -147.074 flat angles C4'-P-C4' energy: -146.723 flat angles P-C4'-P energy: -100.067 tors. eta vs tors. theta energy: -98.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.210 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1283.627752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.627752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.627752 (E_RNA) where: Base-Base interactions energy: -754.693 where: short stacking energy: -376.237 Base-Backbone interact. energy: -1.120 local terms energy: -528.695845 where: bonds (distance) C4'-P energy: -127.885 bonds (distance) P-C4' energy: -154.565 flat angles C4'-P-C4' energy: -126.852 flat angles P-C4'-P energy: -71.808 tors. eta vs tors. theta energy: -47.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.881 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -695.351245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.351245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.351245 (E_RNA) where: Base-Base interactions energy: -290.707 where: short stacking energy: -208.503 Base-Backbone interact. energy: -0.595 local terms energy: -404.836661 where: bonds (distance) C4'-P energy: -110.022 bonds (distance) P-C4' energy: -129.151 flat angles C4'-P-C4' energy: -115.135 flat angles P-C4'-P energy: -71.931 tors. eta vs tors. theta energy: 21.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.788 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -3033.640431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.640431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.640431 (E_RNA) where: Base-Base interactions energy: -2135.478 where: short stacking energy: -844.758 Base-Backbone interact. energy: -5.861 local terms energy: -892.301564 where: bonds (distance) C4'-P energy: -184.453 bonds (distance) P-C4' energy: -171.787 flat angles C4'-P-C4' energy: -184.248 flat angles P-C4'-P energy: -121.370 tors. eta vs tors. theta energy: -230.443 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: 428 Temperature: 0.950000 Total energy: -2844.333973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.333973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.333973 (E_RNA) where: Base-Base interactions energy: -1977.613 where: short stacking energy: -822.126 Base-Backbone interact. energy: -4.045 local terms energy: -862.676247 where: bonds (distance) C4'-P energy: -151.815 bonds (distance) P-C4' energy: -164.299 flat angles C4'-P-C4' energy: -178.100 flat angles P-C4'-P energy: -127.033 tors. eta vs tors. theta energy: -241.430 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: 1 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2814.250016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.250016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.250016 (E_RNA) where: Base-Base interactions energy: -1980.387 where: short stacking energy: -809.008 Base-Backbone interact. energy: -3.213 local terms energy: -830.650319 where: bonds (distance) C4'-P energy: -153.688 bonds (distance) P-C4' energy: -150.905 flat angles C4'-P-C4' energy: -191.806 flat angles P-C4'-P energy: -106.890 tors. eta vs tors. theta energy: -227.361 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: 7 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2585.653294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.653294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.653294 (E_RNA) where: Base-Base interactions energy: -1770.237 where: short stacking energy: -755.784 Base-Backbone interact. energy: -3.733 local terms energy: -811.683292 where: bonds (distance) C4'-P energy: -159.035 bonds (distance) P-C4' energy: -154.933 flat angles C4'-P-C4' energy: -169.573 flat angles P-C4'-P energy: -128.197 tors. eta vs tors. theta energy: -199.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2336.567561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.567561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.567561 (E_RNA) where: Base-Base interactions energy: -1600.042 where: short stacking energy: -684.012 Base-Backbone interact. energy: -2.339 local terms energy: -734.185865 where: bonds (distance) C4'-P energy: -143.441 bonds (distance) P-C4' energy: -154.675 flat angles C4'-P-C4' energy: -141.389 flat angles P-C4'-P energy: -114.955 tors. eta vs tors. theta energy: -179.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -2323.045690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.045690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.045690 (E_RNA) where: Base-Base interactions energy: -1579.629 where: short stacking energy: -676.329 Base-Backbone interact. energy: -3.298 local terms energy: -740.118561 where: bonds (distance) C4'-P energy: -134.933 bonds (distance) P-C4' energy: -155.864 flat angles C4'-P-C4' energy: -160.757 flat angles P-C4'-P energy: -101.158 tors. eta vs tors. theta energy: -187.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -2151.056251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.056251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.056251 (E_RNA) where: Base-Base interactions energy: -1479.467 where: short stacking energy: -633.999 Base-Backbone interact. energy: -0.584 local terms energy: -671.005438 where: bonds (distance) C4'-P energy: -118.952 bonds (distance) P-C4' energy: -154.789 flat angles C4'-P-C4' energy: -127.009 flat angles P-C4'-P energy: -105.020 tors. eta vs tors. theta energy: -165.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1589.680851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.680851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.680851 (E_RNA) where: Base-Base interactions energy: -1008.314 where: short stacking energy: -466.125 Base-Backbone interact. energy: 6.267 local terms energy: -587.633841 where: bonds (distance) C4'-P energy: -132.726 bonds (distance) P-C4' energy: -136.119 flat angles C4'-P-C4' energy: -139.148 flat angles P-C4'-P energy: -98.315 tors. eta vs tors. theta energy: -81.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1280.690467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.690467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.690467 (E_RNA) where: Base-Base interactions energy: -784.130 where: short stacking energy: -370.980 Base-Backbone interact. energy: -3.121 local terms energy: -493.439271 where: bonds (distance) C4'-P energy: -131.066 bonds (distance) P-C4' energy: -143.565 flat angles C4'-P-C4' energy: -115.133 flat angles P-C4'-P energy: -72.292 tors. eta vs tors. theta energy: -31.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -689.146205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.146205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.146205 (E_RNA) where: Base-Base interactions energy: -275.978 where: short stacking energy: -177.787 Base-Backbone interact. energy: -0.441 local terms energy: -412.727315 where: bonds (distance) C4'-P energy: -124.606 bonds (distance) P-C4' energy: -143.614 flat angles C4'-P-C4' energy: -106.157 flat angles P-C4'-P energy: -64.851 tors. eta vs tors. theta energy: 26.500 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: 3 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -3030.918592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.918592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.918592 (E_RNA) where: Base-Base interactions energy: -2156.697 where: short stacking energy: -846.095 Base-Backbone interact. energy: -2.048 local terms energy: -872.174274 where: bonds (distance) C4'-P energy: -151.963 bonds (distance) P-C4' energy: -168.498 flat angles C4'-P-C4' energy: -182.197 flat angles P-C4'-P energy: -129.264 tors. eta vs tors. theta energy: -240.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2854.672621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.672621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.672621 (E_RNA) where: Base-Base interactions energy: -1999.653 where: short stacking energy: -845.451 Base-Backbone interact. energy: -4.645 local terms energy: -850.374609 where: bonds (distance) C4'-P energy: -145.167 bonds (distance) P-C4' energy: -159.248 flat angles C4'-P-C4' energy: -184.916 flat angles P-C4'-P energy: -127.490 tors. eta vs tors. theta energy: -233.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2817.054486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.054486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.054486 (E_RNA) where: Base-Base interactions energy: -1957.775 where: short stacking energy: -822.787 Base-Backbone interact. energy: -3.036 local terms energy: -856.243878 where: bonds (distance) C4'-P energy: -160.365 bonds (distance) P-C4' energy: -159.554 flat angles C4'-P-C4' energy: -181.260 flat angles P-C4'-P energy: -129.121 tors. eta vs tors. theta energy: -225.943 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: 4, replica: 7 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2575.150487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.150487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.150487 (E_RNA) where: Base-Base interactions energy: -1774.851 where: short stacking energy: -745.660 Base-Backbone interact. energy: -4.249 local terms energy: -796.050488 where: bonds (distance) C4'-P energy: -155.292 bonds (distance) P-C4' energy: -166.184 flat angles C4'-P-C4' energy: -169.351 flat angles P-C4'-P energy: -109.589 tors. eta vs tors. theta energy: -195.634 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: 4 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2329.771504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.771504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.771504 (E_RNA) where: Base-Base interactions energy: -1620.221 where: short stacking energy: -725.804 Base-Backbone interact. energy: 5.152 local terms energy: -714.703217 where: bonds (distance) C4'-P energy: -102.671 bonds (distance) P-C4' energy: -164.033 flat angles C4'-P-C4' energy: -164.745 flat angles P-C4'-P energy: -102.510 tors. eta vs tors. theta energy: -180.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -2289.820462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.820462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.820462 (E_RNA) where: Base-Base interactions energy: -1545.568 where: short stacking energy: -663.580 Base-Backbone interact. energy: -4.341 local terms energy: -739.911424 where: bonds (distance) C4'-P energy: -134.555 bonds (distance) P-C4' energy: -149.371 flat angles C4'-P-C4' energy: -169.970 flat angles P-C4'-P energy: -105.640 tors. eta vs tors. theta energy: -180.375 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: 7, replica: 9 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -2131.593946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.593946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.593946 (E_RNA) where: Base-Base interactions energy: -1469.831 where: short stacking energy: -621.597 Base-Backbone interact. energy: -1.719 local terms energy: -660.044567 where: bonds (distance) C4'-P energy: -123.497 bonds (distance) P-C4' energy: -156.956 flat angles C4'-P-C4' energy: -152.839 flat angles P-C4'-P energy: -80.051 tors. eta vs tors. theta energy: -146.702 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: 6 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1629.596514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.596514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.596514 (E_RNA) where: Base-Base interactions energy: -1040.349 where: short stacking energy: -466.526 Base-Backbone interact. energy: -0.711 local terms energy: -588.536682 where: bonds (distance) C4'-P energy: -137.889 bonds (distance) P-C4' energy: -150.968 flat angles C4'-P-C4' energy: -133.825 flat angles P-C4'-P energy: -85.748 tors. eta vs tors. theta energy: -80.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1283.783252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.783252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.783252 (E_RNA) where: Base-Base interactions energy: -767.285 where: short stacking energy: -376.765 Base-Backbone interact. energy: -0.943 local terms energy: -517.584146 where: bonds (distance) C4'-P energy: -137.068 bonds (distance) P-C4' energy: -124.099 flat angles C4'-P-C4' energy: -119.510 flat angles P-C4'-P energy: -78.217 tors. eta vs tors. theta energy: -58.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.029 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -688.882230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.882230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.882230 (E_RNA) where: Base-Base interactions energy: -249.417 where: short stacking energy: -188.595 Base-Backbone interact. energy: 0.966 local terms energy: -440.431038 where: bonds (distance) C4'-P energy: -134.099 bonds (distance) P-C4' energy: -140.684 flat angles C4'-P-C4' energy: -108.537 flat angles P-C4'-P energy: -83.496 tors. eta vs tors. theta energy: 26.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -3039.086453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.086453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.086453 (E_RNA) where: Base-Base interactions energy: -2149.045 where: short stacking energy: -887.705 Base-Backbone interact. energy: -6.894 local terms energy: -883.147016 where: bonds (distance) C4'-P energy: -158.595 bonds (distance) P-C4' energy: -178.248 flat angles C4'-P-C4' energy: -183.657 flat angles P-C4'-P energy: -135.345 tors. eta vs tors. theta energy: -227.302 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: 2, replica: 5 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2866.125511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.125511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.125511 (E_RNA) where: Base-Base interactions energy: -1988.493 where: short stacking energy: -829.078 Base-Backbone interact. energy: 1.311 local terms energy: -878.944201 where: bonds (distance) C4'-P energy: -160.114 bonds (distance) P-C4' energy: -164.535 flat angles C4'-P-C4' energy: -184.338 flat angles P-C4'-P energy: -133.885 tors. eta vs tors. theta energy: -236.073 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: 3, replica: 1 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2800.706281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.706281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.706281 (E_RNA) where: Base-Base interactions energy: -1942.765 where: short stacking energy: -799.139 Base-Backbone interact. energy: -4.167 local terms energy: -853.774793 where: bonds (distance) C4'-P energy: -157.762 bonds (distance) P-C4' energy: -154.170 flat angles C4'-P-C4' energy: -185.015 flat angles P-C4'-P energy: -136.836 tors. eta vs tors. theta energy: -219.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2609.189031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.189031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.189031 (E_RNA) where: Base-Base interactions energy: -1825.485 where: short stacking energy: -772.998 Base-Backbone interact. energy: 1.263 local terms energy: -784.966344 where: bonds (distance) C4'-P energy: -132.379 bonds (distance) P-C4' energy: -161.275 flat angles C4'-P-C4' energy: -165.767 flat angles P-C4'-P energy: -110.036 tors. eta vs tors. theta energy: -215.509 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: 5, replica: 8 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2372.746982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.746982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.746982 (E_RNA) where: Base-Base interactions energy: -1602.944 where: short stacking energy: -690.417 Base-Backbone interact. energy: 0.695 local terms energy: -770.497571 where: bonds (distance) C4'-P energy: -155.495 bonds (distance) P-C4' energy: -169.309 flat angles C4'-P-C4' energy: -166.049 flat angles P-C4'-P energy: -100.130 tors. eta vs tors. theta energy: -179.514 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: 4 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -2246.755075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.755075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.755075 (E_RNA) where: Base-Base interactions energy: -1518.731 where: short stacking energy: -636.998 Base-Backbone interact. energy: -3.981 local terms energy: -724.043278 where: bonds (distance) C4'-P energy: -144.765 bonds (distance) P-C4' energy: -163.582 flat angles C4'-P-C4' energy: -146.798 flat angles P-C4'-P energy: -96.535 tors. eta vs tors. theta energy: -172.364 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: 9 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -2134.650040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.650040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.650040 (E_RNA) where: Base-Base interactions energy: -1463.368 where: short stacking energy: -635.145 Base-Backbone interact. energy: -2.027 local terms energy: -669.255518 where: bonds (distance) C4'-P energy: -121.184 bonds (distance) P-C4' energy: -157.041 flat angles C4'-P-C4' energy: -149.867 flat angles P-C4'-P energy: -102.560 tors. eta vs tors. theta energy: -138.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1682.410115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.410115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.410115 (E_RNA) where: Base-Base interactions energy: -1090.896 where: short stacking energy: -487.730 Base-Backbone interact. energy: -2.443 local terms energy: -589.071466 where: bonds (distance) C4'-P energy: -121.994 bonds (distance) P-C4' energy: -151.328 flat angles C4'-P-C4' energy: -145.149 flat angles P-C4'-P energy: -70.663 tors. eta vs tors. theta energy: -99.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1281.824157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.824157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.824157 (E_RNA) where: Base-Base interactions energy: -783.971 where: short stacking energy: -363.964 Base-Backbone interact. energy: 0.037 local terms energy: -498.824121 where: bonds (distance) C4'-P energy: -140.297 bonds (distance) P-C4' energy: -118.043 flat angles C4'-P-C4' energy: -129.589 flat angles P-C4'-P energy: -81.708 tors. eta vs tors. theta energy: -29.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.935 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -683.131825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.131825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.131825 (E_RNA) where: Base-Base interactions energy: -261.710 where: short stacking energy: -193.034 Base-Backbone interact. energy: -1.009 local terms energy: -420.413385 where: bonds (distance) C4'-P energy: -133.276 bonds (distance) P-C4' energy: -144.922 flat angles C4'-P-C4' energy: -96.627 flat angles P-C4'-P energy: -66.699 tors. eta vs tors. theta energy: 21.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -3052.447928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.447928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.447928 (E_RNA) where: Base-Base interactions energy: -2166.619 where: short stacking energy: -876.792 Base-Backbone interact. energy: -5.982 local terms energy: -879.847380 where: bonds (distance) C4'-P energy: -165.121 bonds (distance) P-C4' energy: -164.166 flat angles C4'-P-C4' energy: -177.672 flat angles P-C4'-P energy: -131.441 tors. eta vs tors. theta energy: -241.447 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: 431 Temperature: 0.950000 Total energy: -2855.199812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.199812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.199812 (E_RNA) where: Base-Base interactions energy: -2002.377 where: short stacking energy: -822.294 Base-Backbone interact. energy: 3.119 local terms energy: -855.941754 where: bonds (distance) C4'-P energy: -152.676 bonds (distance) P-C4' energy: -174.144 flat angles C4'-P-C4' energy: -173.335 flat angles P-C4'-P energy: -126.209 tors. eta vs tors. theta energy: -229.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2817.938987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.938987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.938987 (E_RNA) where: Base-Base interactions energy: -1974.837 where: short stacking energy: -827.291 Base-Backbone interact. energy: -5.450 local terms energy: -837.651972 where: bonds (distance) C4'-P energy: -161.257 bonds (distance) P-C4' energy: -154.719 flat angles C4'-P-C4' energy: -175.116 flat angles P-C4'-P energy: -120.121 tors. eta vs tors. theta energy: -226.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2579.065215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.065215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.065215 (E_RNA) where: Base-Base interactions energy: -1796.926 where: short stacking energy: -751.782 Base-Backbone interact. energy: -2.189 local terms energy: -779.950177 where: bonds (distance) C4'-P energy: -145.835 bonds (distance) P-C4' energy: -155.566 flat angles C4'-P-C4' energy: -170.127 flat angles P-C4'-P energy: -113.004 tors. eta vs tors. theta energy: -195.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2377.997079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.997079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.997079 (E_RNA) where: Base-Base interactions energy: -1641.120 where: short stacking energy: -705.608 Base-Backbone interact. energy: -1.649 local terms energy: -735.228882 where: bonds (distance) C4'-P energy: -141.500 bonds (distance) P-C4' energy: -140.331 flat angles C4'-P-C4' energy: -156.604 flat angles P-C4'-P energy: -113.025 tors. eta vs tors. theta energy: -183.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -2266.753222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.753222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.753222 (E_RNA) where: Base-Base interactions energy: -1514.663 where: short stacking energy: -632.946 Base-Backbone interact. energy: 0.750 local terms energy: -752.840303 where: bonds (distance) C4'-P energy: -149.577 bonds (distance) P-C4' energy: -171.181 flat angles C4'-P-C4' energy: -139.894 flat angles P-C4'-P energy: -109.604 tors. eta vs tors. theta energy: -182.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -2169.950202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.950202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.950202 (E_RNA) where: Base-Base interactions energy: -1467.321 where: short stacking energy: -630.172 Base-Backbone interact. energy: -2.742 local terms energy: -699.887287 where: bonds (distance) C4'-P energy: -140.174 bonds (distance) P-C4' energy: -151.145 flat angles C4'-P-C4' energy: -144.338 flat angles P-C4'-P energy: -100.328 tors. eta vs tors. theta energy: -163.904 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: 6 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1674.171088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.171088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.171088 (E_RNA) where: Base-Base interactions energy: -1060.579 where: short stacking energy: -502.556 Base-Backbone interact. energy: 1.263 local terms energy: -614.854842 where: bonds (distance) C4'-P energy: -129.800 bonds (distance) P-C4' energy: -128.572 flat angles C4'-P-C4' energy: -148.492 flat angles P-C4'-P energy: -101.079 tors. eta vs tors. theta energy: -106.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1231.265351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.265351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.265351 (E_RNA) where: Base-Base interactions energy: -745.421 where: short stacking energy: -332.327 Base-Backbone interact. energy: -2.368 local terms energy: -484.058826 where: bonds (distance) C4'-P energy: -126.961 bonds (distance) P-C4' energy: -163.379 flat angles C4'-P-C4' energy: -111.258 flat angles P-C4'-P energy: -50.987 tors. eta vs tors. theta energy: -31.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.582 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -605.969209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.969209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.969209 (E_RNA) where: Base-Base interactions energy: -226.522 where: short stacking energy: -195.885 Base-Backbone interact. energy: 5.344 local terms energy: -385.055246 where: bonds (distance) C4'-P energy: -90.435 bonds (distance) P-C4' energy: -140.535 flat angles C4'-P-C4' energy: -104.354 flat angles P-C4'-P energy: -68.955 tors. eta vs tors. theta energy: 19.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.265 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -3093.515054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.515054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.515054 (E_RNA) where: Base-Base interactions energy: -2188.636 where: short stacking energy: -881.701 Base-Backbone interact. energy: -0.017 local terms energy: -904.861914 where: bonds (distance) C4'-P energy: -163.967 bonds (distance) P-C4' energy: -173.747 flat angles C4'-P-C4' energy: -185.054 flat angles P-C4'-P energy: -124.413 tors. eta vs tors. theta energy: -257.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2831.617288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.617288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.617288 (E_RNA) where: Base-Base interactions energy: -1984.132 where: short stacking energy: -808.967 Base-Backbone interact. energy: 1.425 local terms energy: -848.910765 where: bonds (distance) C4'-P energy: -162.121 bonds (distance) P-C4' energy: -157.836 flat angles C4'-P-C4' energy: -176.433 flat angles P-C4'-P energy: -118.854 tors. eta vs tors. theta energy: -233.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2815.090843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.090843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.090843 (E_RNA) where: Base-Base interactions energy: -1964.338 where: short stacking energy: -810.022 Base-Backbone interact. energy: -2.284 local terms energy: -848.467939 where: bonds (distance) C4'-P energy: -150.865 bonds (distance) P-C4' energy: -172.190 flat angles C4'-P-C4' energy: -170.831 flat angles P-C4'-P energy: -128.307 tors. eta vs tors. theta energy: -226.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2557.025343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.025343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.025343 (E_RNA) where: Base-Base interactions energy: -1758.076 where: short stacking energy: -736.454 Base-Backbone interact. energy: 1.080 local terms energy: -800.029175 where: bonds (distance) C4'-P energy: -157.292 bonds (distance) P-C4' energy: -164.600 flat angles C4'-P-C4' energy: -160.131 flat angles P-C4'-P energy: -105.340 tors. eta vs tors. theta energy: -212.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2364.163522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.163522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.163522 (E_RNA) where: Base-Base interactions energy: -1626.370 where: short stacking energy: -673.768 Base-Backbone interact. energy: -2.533 local terms energy: -735.260601 where: bonds (distance) C4'-P energy: -131.680 bonds (distance) P-C4' energy: -150.437 flat angles C4'-P-C4' energy: -176.064 flat angles P-C4'-P energy: -106.665 tors. eta vs tors. theta energy: -170.415 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: 4 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -2337.522234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.522234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.522234 (E_RNA) where: Base-Base interactions energy: -1586.438 where: short stacking energy: -695.358 Base-Backbone interact. energy: 0.846 local terms energy: -751.929656 where: bonds (distance) C4'-P energy: -147.055 bonds (distance) P-C4' energy: -152.396 flat angles C4'-P-C4' energy: -165.619 flat angles P-C4'-P energy: -96.008 tors. eta vs tors. theta energy: -190.850 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: 9 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -2164.078641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.078641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.078641 (E_RNA) where: Base-Base interactions energy: -1507.565 where: short stacking energy: -646.547 Base-Backbone interact. energy: -0.506 local terms energy: -656.006810 where: bonds (distance) C4'-P energy: -133.158 bonds (distance) P-C4' energy: -141.809 flat angles C4'-P-C4' energy: -113.227 flat angles P-C4'-P energy: -99.521 tors. eta vs tors. theta energy: -168.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1718.822276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.822276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.822276 (E_RNA) where: Base-Base interactions energy: -1090.998 where: short stacking energy: -490.260 Base-Backbone interact. energy: -1.986 local terms energy: -625.837811 where: bonds (distance) C4'-P energy: -130.084 bonds (distance) P-C4' energy: -152.416 flat angles C4'-P-C4' energy: -138.719 flat angles P-C4'-P energy: -94.183 tors. eta vs tors. theta energy: -110.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1245.370856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.370856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.370856 (E_RNA) where: Base-Base interactions energy: -734.186 where: short stacking energy: -362.688 Base-Backbone interact. energy: -4.126 local terms energy: -507.058532 where: bonds (distance) C4'-P energy: -130.971 bonds (distance) P-C4' energy: -169.460 flat angles C4'-P-C4' energy: -115.017 flat angles P-C4'-P energy: -66.165 tors. eta vs tors. theta energy: -25.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -655.615543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.615543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.615543 (E_RNA) where: Base-Base interactions energy: -239.196 where: short stacking energy: -144.365 Base-Backbone interact. energy: 3.034 local terms energy: -419.453175 where: bonds (distance) C4'-P energy: -142.033 bonds (distance) P-C4' energy: -147.689 flat angles C4'-P-C4' energy: -109.072 flat angles P-C4'-P energy: -47.288 tors. eta vs tors. theta energy: 26.629 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: 1, replica: 3 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -3050.330461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.330461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.330461 (E_RNA) where: Base-Base interactions energy: -2163.763 where: short stacking energy: -868.837 Base-Backbone interact. energy: -0.422 local terms energy: -886.146181 where: bonds (distance) C4'-P energy: -158.159 bonds (distance) P-C4' energy: -161.580 flat angles C4'-P-C4' energy: -182.997 flat angles P-C4'-P energy: -132.324 tors. eta vs tors. theta energy: -251.087 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: 433 Temperature: 0.950000 Total energy: -2830.358712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.358712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.358712 (E_RNA) where: Base-Base interactions energy: -1962.764 where: short stacking energy: -839.518 Base-Backbone interact. energy: 1.408 local terms energy: -869.001933 where: bonds (distance) C4'-P energy: -149.788 bonds (distance) P-C4' energy: -172.518 flat angles C4'-P-C4' energy: -188.921 flat angles P-C4'-P energy: -121.241 tors. eta vs tors. theta energy: -236.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2758.120174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.120174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.120174 (E_RNA) where: Base-Base interactions energy: -1922.848 where: short stacking energy: -783.881 Base-Backbone interact. energy: -2.543 local terms energy: -832.729372 where: bonds (distance) C4'-P energy: -160.352 bonds (distance) P-C4' energy: -172.012 flat angles C4'-P-C4' energy: -177.232 flat angles P-C4'-P energy: -107.831 tors. eta vs tors. theta energy: -215.302 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: 4, replica: 7 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2584.377406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.377406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.377406 (E_RNA) where: Base-Base interactions energy: -1762.092 where: short stacking energy: -740.270 Base-Backbone interact. energy: -4.550 local terms energy: -817.735736 where: bonds (distance) C4'-P energy: -151.029 bonds (distance) P-C4' energy: -167.336 flat angles C4'-P-C4' energy: -181.571 flat angles P-C4'-P energy: -102.099 tors. eta vs tors. theta energy: -215.701 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: 8 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2409.379935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.379935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.379935 (E_RNA) where: Base-Base interactions energy: -1634.155 where: short stacking energy: -716.622 Base-Backbone interact. energy: -0.365 local terms energy: -774.860106 where: bonds (distance) C4'-P energy: -134.455 bonds (distance) P-C4' energy: -143.450 flat angles C4'-P-C4' energy: -178.519 flat angles P-C4'-P energy: -123.161 tors. eta vs tors. theta energy: -195.275 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: 4 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -2270.669446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.669446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.669446 (E_RNA) where: Base-Base interactions energy: -1540.467 where: short stacking energy: -636.825 Base-Backbone interact. energy: -0.039 local terms energy: -730.163860 where: bonds (distance) C4'-P energy: -149.476 bonds (distance) P-C4' energy: -151.192 flat angles C4'-P-C4' energy: -172.707 flat angles P-C4'-P energy: -95.744 tors. eta vs tors. theta energy: -161.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -2126.973028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.973028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.973028 (E_RNA) where: Base-Base interactions energy: -1447.757 where: short stacking energy: -615.714 Base-Backbone interact. energy: -4.496 local terms energy: -674.720232 where: bonds (distance) C4'-P energy: -120.138 bonds (distance) P-C4' energy: -138.953 flat angles C4'-P-C4' energy: -159.881 flat angles P-C4'-P energy: -99.545 tors. eta vs tors. theta energy: -156.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1663.732166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.732166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.732166 (E_RNA) where: Base-Base interactions energy: -1055.760 where: short stacking energy: -479.191 Base-Backbone interact. energy: -0.692 local terms energy: -607.279748 where: bonds (distance) C4'-P energy: -122.242 bonds (distance) P-C4' energy: -151.617 flat angles C4'-P-C4' energy: -152.438 flat angles P-C4'-P energy: -87.621 tors. eta vs tors. theta energy: -93.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1270.517420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.517420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.517420 (E_RNA) where: Base-Base interactions energy: -742.348 where: short stacking energy: -370.697 Base-Backbone interact. energy: 0.264 local terms energy: -528.433590 where: bonds (distance) C4'-P energy: -125.422 bonds (distance) P-C4' energy: -153.291 flat angles C4'-P-C4' energy: -133.942 flat angles P-C4'-P energy: -76.255 tors. eta vs tors. theta energy: -39.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -677.216399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.216399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.216399 (E_RNA) where: Base-Base interactions energy: -279.447 where: short stacking energy: -207.828 Base-Backbone interact. energy: -0.237 local terms energy: -397.531777 where: bonds (distance) C4'-P energy: -131.077 bonds (distance) P-C4' energy: -143.119 flat angles C4'-P-C4' energy: -72.401 flat angles P-C4'-P energy: -76.775 tors. eta vs tors. theta energy: 25.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -3042.945313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.945313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.945313 (E_RNA) where: Base-Base interactions energy: -2148.102 where: short stacking energy: -867.622 Base-Backbone interact. energy: -4.788 local terms energy: -890.055201 where: bonds (distance) C4'-P energy: -160.251 bonds (distance) P-C4' energy: -164.114 flat angles C4'-P-C4' energy: -177.299 flat angles P-C4'-P energy: -140.678 tors. eta vs tors. theta energy: -247.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2856.648150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.648150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.648150 (E_RNA) where: Base-Base interactions energy: -1983.872 where: short stacking energy: -804.434 Base-Backbone interact. energy: -4.417 local terms energy: -868.359208 where: bonds (distance) C4'-P energy: -155.835 bonds (distance) P-C4' energy: -168.496 flat angles C4'-P-C4' energy: -178.242 flat angles P-C4'-P energy: -134.453 tors. eta vs tors. theta energy: -231.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2760.424331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.424331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.424331 (E_RNA) where: Base-Base interactions energy: -1949.274 where: short stacking energy: -811.654 Base-Backbone interact. energy: -3.958 local terms energy: -807.192455 where: bonds (distance) C4'-P energy: -153.793 bonds (distance) P-C4' energy: -162.051 flat angles C4'-P-C4' energy: -175.082 flat angles P-C4'-P energy: -105.190 tors. eta vs tors. theta energy: -211.076 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: 7 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2580.920911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.920911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.920911 (E_RNA) where: Base-Base interactions energy: -1763.996 where: short stacking energy: -716.883 Base-Backbone interact. energy: 1.144 local terms energy: -818.068587 where: bonds (distance) C4'-P energy: -161.664 bonds (distance) P-C4' energy: -169.509 flat angles C4'-P-C4' energy: -176.077 flat angles P-C4'-P energy: -125.510 tors. eta vs tors. theta energy: -185.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2391.400709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.400709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.400709 (E_RNA) where: Base-Base interactions energy: -1651.030 where: short stacking energy: -688.172 Base-Backbone interact. energy: -4.384 local terms energy: -735.986312 where: bonds (distance) C4'-P energy: -145.029 bonds (distance) P-C4' energy: -147.956 flat angles C4'-P-C4' energy: -146.381 flat angles P-C4'-P energy: -109.888 tors. eta vs tors. theta energy: -186.731 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: 4 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -2269.530037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.530037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.530037 (E_RNA) where: Base-Base interactions energy: -1573.068 where: short stacking energy: -663.207 Base-Backbone interact. energy: -0.491 local terms energy: -695.971014 where: bonds (distance) C4'-P energy: -123.797 bonds (distance) P-C4' energy: -140.963 flat angles C4'-P-C4' energy: -160.375 flat angles P-C4'-P energy: -104.528 tors. eta vs tors. theta energy: -166.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -2162.798236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.798236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.798236 (E_RNA) where: Base-Base interactions energy: -1498.831 where: short stacking energy: -655.655 Base-Backbone interact. energy: -2.519 local terms energy: -661.448145 where: bonds (distance) C4'-P energy: -104.364 bonds (distance) P-C4' energy: -150.312 flat angles C4'-P-C4' energy: -161.131 flat angles P-C4'-P energy: -85.180 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: 8, replica: 6 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1646.607004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.607004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.607004 (E_RNA) where: Base-Base interactions energy: -1055.689 where: short stacking energy: -490.097 Base-Backbone interact. energy: -4.695 local terms energy: -586.222630 where: bonds (distance) C4'-P energy: -124.755 bonds (distance) P-C4' energy: -141.580 flat angles C4'-P-C4' energy: -148.619 flat angles P-C4'-P energy: -71.148 tors. eta vs tors. theta energy: -100.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1222.766360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.766360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.766360 (E_RNA) where: Base-Base interactions energy: -718.641 where: short stacking energy: -360.365 Base-Backbone interact. energy: -2.834 local terms energy: -501.290902 where: bonds (distance) C4'-P energy: -136.646 bonds (distance) P-C4' energy: -138.292 flat angles C4'-P-C4' energy: -134.864 flat angles P-C4'-P energy: -60.991 tors. eta vs tors. theta energy: -30.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -700.174088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.174088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.174088 (E_RNA) where: Base-Base interactions energy: -279.353 where: short stacking energy: -213.700 Base-Backbone interact. energy: -0.281 local terms energy: -420.539657 where: bonds (distance) C4'-P energy: -120.089 bonds (distance) P-C4' energy: -133.477 flat angles C4'-P-C4' energy: -96.591 flat angles P-C4'-P energy: -79.938 tors. eta vs tors. theta energy: 9.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -3066.718806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.718806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.718806 (E_RNA) where: Base-Base interactions energy: -2166.455 where: short stacking energy: -854.802 Base-Backbone interact. energy: -7.800 local terms energy: -892.463596 where: bonds (distance) C4'-P energy: -164.187 bonds (distance) P-C4' energy: -164.182 flat angles C4'-P-C4' energy: -190.271 flat angles P-C4'-P energy: -144.471 tors. eta vs tors. theta energy: -229.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -2860.496537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.496537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.496537 (E_RNA) where: Base-Base interactions energy: -2004.622 where: short stacking energy: -804.209 Base-Backbone interact. energy: -6.314 local terms energy: -849.560626 where: bonds (distance) C4'-P energy: -150.463 bonds (distance) P-C4' energy: -162.279 flat angles C4'-P-C4' energy: -187.523 flat angles P-C4'-P energy: -120.138 tors. eta vs tors. theta energy: -229.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2753.607334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.607334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.607334 (E_RNA) where: Base-Base interactions energy: -1938.034 where: short stacking energy: -814.087 Base-Backbone interact. energy: -4.409 local terms energy: -811.163621 where: bonds (distance) C4'-P energy: -144.141 bonds (distance) P-C4' energy: -169.375 flat angles C4'-P-C4' energy: -173.913 flat angles P-C4'-P energy: -105.106 tors. eta vs tors. theta energy: -218.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2528.969015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.969015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.969015 (E_RNA) where: Base-Base interactions energy: -1778.939 where: short stacking energy: -724.888 Base-Backbone interact. energy: -2.863 local terms energy: -747.167049 where: bonds (distance) C4'-P energy: -146.816 bonds (distance) P-C4' energy: -151.531 flat angles C4'-P-C4' energy: -152.756 flat angles P-C4'-P energy: -104.384 tors. eta vs tors. theta energy: -191.681 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: 8 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2377.435272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.435272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.435272 (E_RNA) where: Base-Base interactions energy: -1636.579 where: short stacking energy: -685.253 Base-Backbone interact. energy: -4.354 local terms energy: -736.501888 where: bonds (distance) C4'-P energy: -141.859 bonds (distance) P-C4' energy: -145.888 flat angles C4'-P-C4' energy: -161.292 flat angles P-C4'-P energy: -110.654 tors. eta vs tors. theta energy: -176.810 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: 435 Temperature: 1.150000 Total energy: -2294.287065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.287065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.287065 (E_RNA) where: Base-Base interactions energy: -1563.967 where: short stacking energy: -658.923 Base-Backbone interact. energy: -0.786 local terms energy: -729.533407 where: bonds (distance) C4'-P energy: -152.299 bonds (distance) P-C4' energy: -157.841 flat angles C4'-P-C4' energy: -155.347 flat angles P-C4'-P energy: -107.146 tors. eta vs tors. theta energy: -156.901 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: 9 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -2143.078913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.078913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.078913 (E_RNA) where: Base-Base interactions energy: -1461.215 where: short stacking energy: -634.347 Base-Backbone interact. energy: -1.952 local terms energy: -679.911587 where: bonds (distance) C4'-P energy: -124.840 bonds (distance) P-C4' energy: -123.376 flat angles C4'-P-C4' energy: -161.776 flat angles P-C4'-P energy: -96.501 tors. eta vs tors. theta energy: -173.419 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: 6 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1570.492963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.492963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.492963 (E_RNA) where: Base-Base interactions energy: -1008.315 where: short stacking energy: -451.033 Base-Backbone interact. energy: 3.146 local terms energy: -566.544832 where: bonds (distance) C4'-P energy: -134.369 bonds (distance) P-C4' energy: -145.745 flat angles C4'-P-C4' energy: -125.058 flat angles P-C4'-P energy: -86.905 tors. eta vs tors. theta energy: -74.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.221 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1227.526951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.526951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.526951 (E_RNA) where: Base-Base interactions energy: -669.623 where: short stacking energy: -328.236 Base-Backbone interact. energy: 1.816 local terms energy: -559.719579 where: bonds (distance) C4'-P energy: -142.341 bonds (distance) P-C4' energy: -154.818 flat angles C4'-P-C4' energy: -133.343 flat angles P-C4'-P energy: -82.434 tors. eta vs tors. theta energy: -46.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -636.238796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.238796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.238796 (E_RNA) where: Base-Base interactions energy: -253.662 where: short stacking energy: -183.142 Base-Backbone interact. energy: 2.829 local terms energy: -386.895510 where: bonds (distance) C4'-P energy: -134.607 bonds (distance) P-C4' energy: -128.216 flat angles C4'-P-C4' energy: -94.618 flat angles P-C4'-P energy: -70.901 tors. eta vs tors. theta energy: 41.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.489 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -3046.154405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.154405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.154405 (E_RNA) where: Base-Base interactions energy: -2142.549 where: short stacking energy: -844.579 Base-Backbone interact. energy: -7.343 local terms energy: -896.262237 where: bonds (distance) C4'-P energy: -164.955 bonds (distance) P-C4' energy: -178.764 flat angles C4'-P-C4' energy: -178.814 flat angles P-C4'-P energy: -134.917 tors. eta vs tors. theta energy: -238.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2860.804341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.804341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.804341 (E_RNA) where: Base-Base interactions energy: -1990.527 where: short stacking energy: -806.729 Base-Backbone interact. energy: -8.466 local terms energy: -861.811284 where: bonds (distance) C4'-P energy: -144.083 bonds (distance) P-C4' energy: -154.199 flat angles C4'-P-C4' energy: -192.843 flat angles P-C4'-P energy: -126.474 tors. eta vs tors. theta energy: -244.212 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: 3, replica: 1 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2795.598279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.598279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.598279 (E_RNA) where: Base-Base interactions energy: -1966.728 where: short stacking energy: -816.336 Base-Backbone interact. energy: 0.350 local terms energy: -829.219632 where: bonds (distance) C4'-P energy: -149.246 bonds (distance) P-C4' energy: -146.212 flat angles C4'-P-C4' energy: -185.424 flat angles P-C4'-P energy: -127.800 tors. eta vs tors. theta energy: -220.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2560.283353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.283353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.283353 (E_RNA) where: Base-Base interactions energy: -1785.415 where: short stacking energy: -740.812 Base-Backbone interact. energy: -3.373 local terms energy: -771.495749 where: bonds (distance) C4'-P energy: -159.689 bonds (distance) P-C4' energy: -148.154 flat angles C4'-P-C4' energy: -167.338 flat angles P-C4'-P energy: -102.734 tors. eta vs tors. theta energy: -193.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2393.108113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.108113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.108113 (E_RNA) where: Base-Base interactions energy: -1659.558 where: short stacking energy: -709.624 Base-Backbone interact. energy: -1.550 local terms energy: -731.999647 where: bonds (distance) C4'-P energy: -126.945 bonds (distance) P-C4' energy: -148.426 flat angles C4'-P-C4' energy: -176.679 flat angles P-C4'-P energy: -93.619 tors. eta vs tors. theta energy: -186.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -2276.524275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.524275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.524275 (E_RNA) where: Base-Base interactions energy: -1557.450 where: short stacking energy: -677.904 Base-Backbone interact. energy: 0.249 local terms energy: -719.323249 where: bonds (distance) C4'-P energy: -136.689 bonds (distance) P-C4' energy: -127.642 flat angles C4'-P-C4' energy: -164.049 flat angles P-C4'-P energy: -104.738 tors. eta vs tors. theta energy: -186.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -2112.575904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.575904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.575904 (E_RNA) where: Base-Base interactions energy: -1441.522 where: short stacking energy: -620.596 Base-Backbone interact. energy: -3.446 local terms energy: -667.607777 where: bonds (distance) C4'-P energy: -129.764 bonds (distance) P-C4' energy: -142.254 flat angles C4'-P-C4' energy: -160.738 flat angles P-C4'-P energy: -94.146 tors. eta vs tors. theta energy: -140.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1671.282100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.282100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.282100 (E_RNA) where: Base-Base interactions energy: -1068.592 where: short stacking energy: -475.515 Base-Backbone interact. energy: -1.501 local terms energy: -601.188541 where: bonds (distance) C4'-P energy: -128.813 bonds (distance) P-C4' energy: -163.853 flat angles C4'-P-C4' energy: -125.334 flat angles P-C4'-P energy: -75.231 tors. eta vs tors. theta energy: -107.957 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: 9, replica: 2 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1201.469898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.469898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.469898 (E_RNA) where: Base-Base interactions energy: -688.396 where: short stacking energy: -350.058 Base-Backbone interact. energy: 1.532 local terms energy: -514.606318 where: bonds (distance) C4'-P energy: -125.862 bonds (distance) P-C4' energy: -142.939 flat angles C4'-P-C4' energy: -126.779 flat angles P-C4'-P energy: -88.974 tors. eta vs tors. theta energy: -30.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -659.434361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.434361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.434361 (E_RNA) where: Base-Base interactions energy: -288.354 where: short stacking energy: -218.320 Base-Backbone interact. energy: 5.400 local terms energy: -376.479707 where: bonds (distance) C4'-P energy: -127.187 bonds (distance) P-C4' energy: -122.850 flat angles C4'-P-C4' energy: -100.505 flat angles P-C4'-P energy: -51.642 tors. eta vs tors. theta energy: 25.706 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: 3 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -3052.891960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.891960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.891960 (E_RNA) where: Base-Base interactions energy: -2173.303 where: short stacking energy: -878.271 Base-Backbone interact. energy: -7.179 local terms energy: -872.410506 where: bonds (distance) C4'-P energy: -151.791 bonds (distance) P-C4' energy: -163.925 flat angles C4'-P-C4' energy: -187.319 flat angles P-C4'-P energy: -130.222 tors. eta vs tors. theta energy: -239.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2869.259318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.259318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.259318 (E_RNA) where: Base-Base interactions energy: -2018.481 where: short stacking energy: -824.662 Base-Backbone interact. energy: 0.392 local terms energy: -851.169480 where: bonds (distance) C4'-P energy: -156.083 bonds (distance) P-C4' energy: -141.703 flat angles C4'-P-C4' energy: -185.594 flat angles P-C4'-P energy: -126.825 tors. eta vs tors. theta energy: -240.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2732.535856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.535856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.535856 (E_RNA) where: Base-Base interactions energy: -1906.449 where: short stacking energy: -773.614 Base-Backbone interact. energy: -3.286 local terms energy: -822.800733 where: bonds (distance) C4'-P energy: -159.588 bonds (distance) P-C4' energy: -154.221 flat angles C4'-P-C4' energy: -171.141 flat angles P-C4'-P energy: -132.749 tors. eta vs tors. theta energy: -205.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2612.419769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.419769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.419769 (E_RNA) where: Base-Base interactions energy: -1815.898 where: short stacking energy: -750.032 Base-Backbone interact. energy: -4.311 local terms energy: -792.210009 where: bonds (distance) C4'-P energy: -131.230 bonds (distance) P-C4' energy: -168.951 flat angles C4'-P-C4' energy: -178.936 flat angles P-C4'-P energy: -118.254 tors. eta vs tors. theta energy: -194.839 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: 8 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2348.925843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.925843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.925843 (E_RNA) where: Base-Base interactions energy: -1614.565 where: short stacking energy: -680.414 Base-Backbone interact. energy: -0.622 local terms energy: -733.738890 where: bonds (distance) C4'-P energy: -142.153 bonds (distance) P-C4' energy: -167.519 flat angles C4'-P-C4' energy: -171.881 flat angles P-C4'-P energy: -88.319 tors. eta vs tors. theta energy: -163.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -2217.005661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.005661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.005661 (E_RNA) where: Base-Base interactions energy: -1551.643 where: short stacking energy: -657.495 Base-Backbone interact. energy: 0.160 local terms energy: -665.522711 where: bonds (distance) C4'-P energy: -129.585 bonds (distance) P-C4' energy: -129.820 flat angles C4'-P-C4' energy: -151.096 flat angles P-C4'-P energy: -91.957 tors. eta vs tors. theta energy: -163.065 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: 7, replica: 9 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -2108.726392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.726392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.726392 (E_RNA) where: Base-Base interactions energy: -1443.094 where: short stacking energy: -626.223 Base-Backbone interact. energy: -0.052 local terms energy: -665.580620 where: bonds (distance) C4'-P energy: -126.539 bonds (distance) P-C4' energy: -138.478 flat angles C4'-P-C4' energy: -155.198 flat angles P-C4'-P energy: -89.387 tors. eta vs tors. theta energy: -155.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1598.208361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.208361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.208361 (E_RNA) where: Base-Base interactions energy: -1021.187 where: short stacking energy: -444.663 Base-Backbone interact. energy: -0.009 local terms energy: -577.012513 where: bonds (distance) C4'-P energy: -117.290 bonds (distance) P-C4' energy: -144.365 flat angles C4'-P-C4' energy: -142.515 flat angles P-C4'-P energy: -88.663 tors. eta vs tors. theta energy: -84.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1221.433708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.433708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.433708 (E_RNA) where: Base-Base interactions energy: -707.198 where: short stacking energy: -334.229 Base-Backbone interact. energy: 4.726 local terms energy: -518.962159 where: bonds (distance) C4'-P energy: -120.754 bonds (distance) P-C4' energy: -132.494 flat angles C4'-P-C4' energy: -132.060 flat angles P-C4'-P energy: -87.266 tors. eta vs tors. theta energy: -46.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -666.796847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.796847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.796847 (E_RNA) where: Base-Base interactions energy: -254.775 where: short stacking energy: -205.807 Base-Backbone interact. energy: -0.055 local terms energy: -412.129371 where: bonds (distance) C4'-P energy: -121.770 bonds (distance) P-C4' energy: -138.014 flat angles C4'-P-C4' energy: -118.669 flat angles P-C4'-P energy: -39.250 tors. eta vs tors. theta energy: 5.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.163 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -3067.579129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.579129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.579129 (E_RNA) where: Base-Base interactions energy: -2178.209 where: short stacking energy: -860.932 Base-Backbone interact. energy: -6.154 local terms energy: -883.216725 where: bonds (distance) C4'-P energy: -165.775 bonds (distance) P-C4' energy: -155.038 flat angles C4'-P-C4' energy: -192.183 flat angles P-C4'-P energy: -129.861 tors. eta vs tors. theta energy: -240.360 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: 438 Temperature: 0.950000 Total energy: -2800.630709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.630709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.630709 (E_RNA) where: Base-Base interactions energy: -1952.295 where: short stacking energy: -785.234 Base-Backbone interact. energy: 0.037 local terms energy: -848.372706 where: bonds (distance) C4'-P energy: -143.730 bonds (distance) P-C4' energy: -162.747 flat angles C4'-P-C4' energy: -182.781 flat angles P-C4'-P energy: -122.961 tors. eta vs tors. theta energy: -236.153 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: 438 Temperature: 1.000000 Total energy: -2767.703349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.703349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.703349 (E_RNA) where: Base-Base interactions energy: -1943.900 where: short stacking energy: -833.670 Base-Backbone interact. energy: -2.821 local terms energy: -820.982704 where: bonds (distance) C4'-P energy: -147.491 bonds (distance) P-C4' energy: -155.931 flat angles C4'-P-C4' energy: -174.003 flat angles P-C4'-P energy: -121.909 tors. eta vs tors. theta energy: -221.649 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: 4, replica: 7 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2593.795308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.795308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.795308 (E_RNA) where: Base-Base interactions energy: -1790.762 where: short stacking energy: -726.096 Base-Backbone interact. energy: -3.994 local terms energy: -799.039031 where: bonds (distance) C4'-P energy: -154.899 bonds (distance) P-C4' energy: -146.125 flat angles C4'-P-C4' energy: -176.379 flat angles P-C4'-P energy: -125.975 tors. eta vs tors. theta energy: -195.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2416.671646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.671646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.671646 (E_RNA) where: Base-Base interactions energy: -1685.850 where: short stacking energy: -715.408 Base-Backbone interact. energy: -2.408 local terms energy: -728.413620 where: bonds (distance) C4'-P energy: -125.439 bonds (distance) P-C4' energy: -146.945 flat angles C4'-P-C4' energy: -159.900 flat angles P-C4'-P energy: -101.660 tors. eta vs tors. theta energy: -194.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -2211.514519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.514519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.514519 (E_RNA) where: Base-Base interactions energy: -1496.975 where: short stacking energy: -643.628 Base-Backbone interact. energy: 1.148 local terms energy: -715.687324 where: bonds (distance) C4'-P energy: -128.907 bonds (distance) P-C4' energy: -148.481 flat angles C4'-P-C4' energy: -158.850 flat angles P-C4'-P energy: -114.510 tors. eta vs tors. theta energy: -164.939 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: 7, replica: 9 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -2050.808346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.808346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.808346 (E_RNA) where: Base-Base interactions energy: -1394.354 where: short stacking energy: -602.372 Base-Backbone interact. energy: -2.018 local terms energy: -654.436535 where: bonds (distance) C4'-P energy: -119.694 bonds (distance) P-C4' energy: -169.448 flat angles C4'-P-C4' energy: -138.370 flat angles P-C4'-P energy: -75.669 tors. eta vs tors. theta energy: -151.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1636.006547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.006547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.006547 (E_RNA) where: Base-Base interactions energy: -1035.991 where: short stacking energy: -468.863 Base-Backbone interact. energy: -2.608 local terms energy: -597.407993 where: bonds (distance) C4'-P energy: -116.207 bonds (distance) P-C4' energy: -146.274 flat angles C4'-P-C4' energy: -156.073 flat angles P-C4'-P energy: -95.826 tors. eta vs tors. theta energy: -83.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1241.941685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.941685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.941685 (E_RNA) where: Base-Base interactions energy: -717.454 where: short stacking energy: -331.426 Base-Backbone interact. energy: -2.602 local terms energy: -521.885661 where: bonds (distance) C4'-P energy: -121.891 bonds (distance) P-C4' energy: -134.878 flat angles C4'-P-C4' energy: -136.654 flat angles P-C4'-P energy: -95.237 tors. eta vs tors. theta energy: -33.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -674.204953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.204953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.204953 (E_RNA) where: Base-Base interactions energy: -238.281 where: short stacking energy: -160.903 Base-Backbone interact. energy: 2.010 local terms energy: -437.933770 where: bonds (distance) C4'-P energy: -130.702 bonds (distance) P-C4' energy: -157.597 flat angles C4'-P-C4' energy: -113.861 flat angles P-C4'-P energy: -64.647 tors. eta vs tors. theta energy: 28.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -3072.299904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.299904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.299904 (E_RNA) where: Base-Base interactions energy: -2176.581 where: short stacking energy: -869.071 Base-Backbone interact. energy: -5.341 local terms energy: -890.378097 where: bonds (distance) C4'-P energy: -152.383 bonds (distance) P-C4' energy: -181.128 flat angles C4'-P-C4' energy: -189.087 flat angles P-C4'-P energy: -129.937 tors. eta vs tors. theta energy: -237.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2838.766661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.766661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.766661 (E_RNA) where: Base-Base interactions energy: -1974.461 where: short stacking energy: -815.850 Base-Backbone interact. energy: -3.321 local terms energy: -860.984277 where: bonds (distance) C4'-P energy: -159.938 bonds (distance) P-C4' energy: -170.563 flat angles C4'-P-C4' energy: -172.572 flat angles P-C4'-P energy: -120.144 tors. eta vs tors. theta energy: -237.766 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: 439 Temperature: 1.000000 Total energy: -2741.366507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.366507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.366507 (E_RNA) where: Base-Base interactions energy: -1901.895 where: short stacking energy: -775.991 Base-Backbone interact. energy: -1.409 local terms energy: -838.062555 where: bonds (distance) C4'-P energy: -156.918 bonds (distance) P-C4' energy: -155.498 flat angles C4'-P-C4' energy: -180.136 flat angles P-C4'-P energy: -120.372 tors. eta vs tors. theta energy: -225.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -2609.678172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.678172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.678172 (E_RNA) where: Base-Base interactions energy: -1842.065 where: short stacking energy: -758.740 Base-Backbone interact. energy: -2.199 local terms energy: -765.414467 where: bonds (distance) C4'-P energy: -146.326 bonds (distance) P-C4' energy: -157.684 flat angles C4'-P-C4' energy: -150.633 flat angles P-C4'-P energy: -106.361 tors. eta vs tors. theta energy: -204.411 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: 8 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2383.627782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.627782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.627782 (E_RNA) where: Base-Base interactions energy: -1652.359 where: short stacking energy: -741.875 Base-Backbone interact. energy: 0.684 local terms energy: -731.952445 where: bonds (distance) C4'-P energy: -135.228 bonds (distance) P-C4' energy: -147.496 flat angles C4'-P-C4' energy: -158.407 flat angles P-C4'-P energy: -96.251 tors. eta vs tors. theta energy: -194.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -2265.455598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.455598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.455598 (E_RNA) where: Base-Base interactions energy: -1553.545 where: short stacking energy: -647.811 Base-Backbone interact. energy: -0.534 local terms energy: -711.376241 where: bonds (distance) C4'-P energy: -138.300 bonds (distance) P-C4' energy: -159.334 flat angles C4'-P-C4' energy: -149.168 flat angles P-C4'-P energy: -95.825 tors. eta vs tors. theta energy: -168.749 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: 9 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -2036.584284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.584284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.584284 (E_RNA) where: Base-Base interactions energy: -1340.371 where: short stacking energy: -565.723 Base-Backbone interact. energy: -3.209 local terms energy: -693.004390 where: bonds (distance) C4'-P energy: -142.068 bonds (distance) P-C4' energy: -159.907 flat angles C4'-P-C4' energy: -155.436 flat angles P-C4'-P energy: -90.534 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: 8, replica: 6 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1622.659739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.659739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.659739 (E_RNA) where: Base-Base interactions energy: -1049.995 where: short stacking energy: -485.038 Base-Backbone interact. energy: -2.210 local terms energy: -570.454157 where: bonds (distance) C4'-P energy: -129.892 bonds (distance) P-C4' energy: -133.461 flat angles C4'-P-C4' energy: -135.983 flat angles P-C4'-P energy: -72.190 tors. eta vs tors. theta energy: -98.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1215.340261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.340261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.340261 (E_RNA) where: Base-Base interactions energy: -720.696 where: short stacking energy: -340.252 Base-Backbone interact. energy: -0.958 local terms energy: -493.685574 where: bonds (distance) C4'-P energy: -138.016 bonds (distance) P-C4' energy: -142.673 flat angles C4'-P-C4' energy: -122.275 flat angles P-C4'-P energy: -61.434 tors. eta vs tors. theta energy: -29.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -677.781997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.781997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.781997 (E_RNA) where: Base-Base interactions energy: -277.457 where: short stacking energy: -218.351 Base-Backbone interact. energy: -1.698 local terms energy: -398.626971 where: bonds (distance) C4'-P energy: -132.369 bonds (distance) P-C4' energy: -126.266 flat angles C4'-P-C4' energy: -100.952 flat angles P-C4'-P energy: -53.589 tors. eta vs tors. theta energy: 14.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -3055.556172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.556172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.556172 (E_RNA) where: Base-Base interactions energy: -2196.138 where: short stacking energy: -860.684 Base-Backbone interact. energy: -3.244 local terms energy: -856.173969 where: bonds (distance) C4'-P energy: -149.374 bonds (distance) P-C4' energy: -161.419 flat angles C4'-P-C4' energy: -179.823 flat angles P-C4'-P energy: -129.628 tors. eta vs tors. theta energy: -235.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2828.903224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.903224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.903224 (E_RNA) where: Base-Base interactions energy: -1999.181 where: short stacking energy: -793.227 Base-Backbone interact. energy: 0.131 local terms energy: -829.853187 where: bonds (distance) C4'-P energy: -144.227 bonds (distance) P-C4' energy: -179.554 flat angles C4'-P-C4' energy: -165.985 flat angles P-C4'-P energy: -118.270 tors. eta vs tors. theta energy: -221.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2742.736379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.736379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.736379 (E_RNA) where: Base-Base interactions energy: -1912.652 where: short stacking energy: -786.838 Base-Backbone interact. energy: -4.006 local terms energy: -826.078675 where: bonds (distance) C4'-P energy: -144.743 bonds (distance) P-C4' energy: -170.958 flat angles C4'-P-C4' energy: -178.783 flat angles P-C4'-P energy: -108.423 tors. eta vs tors. theta energy: -223.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2665.785695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.785695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.785695 (E_RNA) where: Base-Base interactions energy: -1826.456 where: short stacking energy: -743.909 Base-Backbone interact. energy: 1.512 local terms energy: -840.841608 where: bonds (distance) C4'-P energy: -160.665 bonds (distance) P-C4' energy: -165.697 flat angles C4'-P-C4' energy: -173.182 flat angles P-C4'-P energy: -126.013 tors. eta vs tors. theta energy: -215.285 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: 8 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2416.299568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.299568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.299568 (E_RNA) where: Base-Base interactions energy: -1627.849 where: short stacking energy: -693.808 Base-Backbone interact. energy: -3.127 local terms energy: -785.324396 where: bonds (distance) C4'-P energy: -155.801 bonds (distance) P-C4' energy: -157.174 flat angles C4'-P-C4' energy: -173.636 flat angles P-C4'-P energy: -100.647 tors. eta vs tors. theta energy: -198.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -2219.166746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.166746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.166746 (E_RNA) where: Base-Base interactions energy: -1521.601 where: short stacking energy: -633.155 Base-Backbone interact. energy: -0.269 local terms energy: -697.296334 where: bonds (distance) C4'-P energy: -140.682 bonds (distance) P-C4' energy: -130.847 flat angles C4'-P-C4' energy: -157.644 flat angles P-C4'-P energy: -102.426 tors. eta vs tors. theta energy: -165.697 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: 7, replica: 9 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -2053.895917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.895917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.895917 (E_RNA) where: Base-Base interactions energy: -1394.491 where: short stacking energy: -598.279 Base-Backbone interact. energy: -0.925 local terms energy: -658.480641 where: bonds (distance) C4'-P energy: -126.461 bonds (distance) P-C4' energy: -147.559 flat angles C4'-P-C4' energy: -149.536 flat angles P-C4'-P energy: -84.354 tors. eta vs tors. theta energy: -150.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1591.258461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.258461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.258461 (E_RNA) where: Base-Base interactions energy: -1007.831 where: short stacking energy: -460.910 Base-Backbone interact. energy: -2.978 local terms energy: -580.557587 where: bonds (distance) C4'-P energy: -120.154 bonds (distance) P-C4' energy: -157.098 flat angles C4'-P-C4' energy: -127.886 flat angles P-C4'-P energy: -68.081 tors. eta vs tors. theta energy: -107.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.108 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1209.789669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.789669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.789669 (E_RNA) where: Base-Base interactions energy: -720.774 where: short stacking energy: -346.433 Base-Backbone interact. energy: -2.780 local terms energy: -487.808211 where: bonds (distance) C4'-P energy: -127.054 bonds (distance) P-C4' energy: -142.289 flat angles C4'-P-C4' energy: -136.737 flat angles P-C4'-P energy: -57.975 tors. eta vs tors. theta energy: -23.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.573 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -611.872941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.872941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.872941 (E_RNA) where: Base-Base interactions energy: -192.048 where: short stacking energy: -162.837 Base-Backbone interact. energy: -2.624 local terms energy: -417.201468 where: bonds (distance) C4'-P energy: -126.832 bonds (distance) P-C4' energy: -154.893 flat angles C4'-P-C4' energy: -116.264 flat angles P-C4'-P energy: -47.826 tors. eta vs tors. theta energy: 28.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -3087.047728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.047728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.047728 (E_RNA) where: Base-Base interactions energy: -2172.254 where: short stacking energy: -883.769 Base-Backbone interact. energy: -5.827 local terms energy: -908.966552 where: bonds (distance) C4'-P energy: -155.348 bonds (distance) P-C4' energy: -166.214 flat angles C4'-P-C4' energy: -199.186 flat angles P-C4'-P energy: -136.189 tors. eta vs tors. theta energy: -252.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2870.038650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.038650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.038650 (E_RNA) where: Base-Base interactions energy: -2017.348 where: short stacking energy: -840.261 Base-Backbone interact. energy: -4.138 local terms energy: -848.552944 where: bonds (distance) C4'-P energy: -146.338 bonds (distance) P-C4' energy: -153.286 flat angles C4'-P-C4' energy: -189.559 flat angles P-C4'-P energy: -128.431 tors. eta vs tors. theta energy: -230.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2723.002809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.002809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.002809 (E_RNA) where: Base-Base interactions energy: -1917.912 where: short stacking energy: -767.681 Base-Backbone interact. energy: -2.314 local terms energy: -802.776936 where: bonds (distance) C4'-P energy: -131.112 bonds (distance) P-C4' energy: -169.599 flat angles C4'-P-C4' energy: -179.004 flat angles P-C4'-P energy: -122.884 tors. eta vs tors. theta energy: -200.178 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: 4, replica: 7 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2655.953379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.953379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.953379 (E_RNA) where: Base-Base interactions energy: -1881.537 where: short stacking energy: -813.539 Base-Backbone interact. energy: -4.208 local terms energy: -770.207499 where: bonds (distance) C4'-P energy: -135.376 bonds (distance) P-C4' energy: -135.132 flat angles C4'-P-C4' energy: -181.993 flat angles P-C4'-P energy: -88.858 tors. eta vs tors. theta energy: -228.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2380.761371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.761371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.761371 (E_RNA) where: Base-Base interactions energy: -1613.521 where: short stacking energy: -721.392 Base-Backbone interact. energy: -1.908 local terms energy: -765.332875 where: bonds (distance) C4'-P energy: -143.015 bonds (distance) P-C4' energy: -149.121 flat angles C4'-P-C4' energy: -171.311 flat angles P-C4'-P energy: -112.625 tors. eta vs tors. theta energy: -189.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -2219.152795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.152795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.152795 (E_RNA) where: Base-Base interactions energy: -1496.159 where: short stacking energy: -662.395 Base-Backbone interact. energy: -2.147 local terms energy: -720.846839 where: bonds (distance) C4'-P energy: -161.687 bonds (distance) P-C4' energy: -146.519 flat angles C4'-P-C4' energy: -153.701 flat angles P-C4'-P energy: -91.066 tors. eta vs tors. theta energy: -167.874 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: 9 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -2058.426707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.426707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.426707 (E_RNA) where: Base-Base interactions energy: -1366.547 where: short stacking energy: -597.797 Base-Backbone interact. energy: 1.380 local terms energy: -693.259708 where: bonds (distance) C4'-P energy: -135.924 bonds (distance) P-C4' energy: -156.431 flat angles C4'-P-C4' energy: -160.421 flat angles P-C4'-P energy: -100.409 tors. eta vs tors. theta energy: -140.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1566.377962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.377962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.377962 (E_RNA) where: Base-Base interactions energy: -990.377 where: short stacking energy: -449.373 Base-Backbone interact. energy: -3.631 local terms energy: -572.370448 where: bonds (distance) C4'-P energy: -137.381 bonds (distance) P-C4' energy: -154.878 flat angles C4'-P-C4' energy: -119.045 flat angles P-C4'-P energy: -82.814 tors. eta vs tors. theta energy: -78.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -1148.783449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.783449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.783449 (E_RNA) where: Base-Base interactions energy: -668.451 where: short stacking energy: -320.057 Base-Backbone interact. energy: 11.430 local terms energy: -491.762664 where: bonds (distance) C4'-P energy: -117.728 bonds (distance) P-C4' energy: -143.631 flat angles C4'-P-C4' energy: -127.978 flat angles P-C4'-P energy: -74.387 tors. eta vs tors. theta energy: -28.037 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: 10 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -654.806514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.806514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.806514 (E_RNA) where: Base-Base interactions energy: -217.094 where: short stacking energy: -187.426 Base-Backbone interact. energy: 4.872 local terms energy: -442.584404 where: bonds (distance) C4'-P energy: -127.632 bonds (distance) P-C4' energy: -138.978 flat angles C4'-P-C4' energy: -128.806 flat angles P-C4'-P energy: -72.253 tors. eta vs tors. theta energy: 25.085 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: 442 Temperature: 0.900000 Total energy: -3057.043941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.043941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.043941 (E_RNA) where: Base-Base interactions energy: -2179.747 where: short stacking energy: -875.950 Base-Backbone interact. energy: -5.178 local terms energy: -872.118887 where: bonds (distance) C4'-P energy: -162.131 bonds (distance) P-C4' energy: -161.525 flat angles C4'-P-C4' energy: -181.130 flat angles P-C4'-P energy: -123.985 tors. eta vs tors. theta energy: -243.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2878.921602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.921602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.921602 (E_RNA) where: Base-Base interactions energy: -2012.800 where: short stacking energy: -814.902 Base-Backbone interact. energy: -3.882 local terms energy: -862.239810 where: bonds (distance) C4'-P energy: -146.896 bonds (distance) P-C4' energy: -171.980 flat angles C4'-P-C4' energy: -182.817 flat angles P-C4'-P energy: -132.641 tors. eta vs tors. theta energy: -227.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2723.155472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.155472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.155472 (E_RNA) where: Base-Base interactions energy: -1890.172 where: short stacking energy: -767.672 Base-Backbone interact. energy: -6.439 local terms energy: -826.545256 where: bonds (distance) C4'-P energy: -133.873 bonds (distance) P-C4' energy: -169.032 flat angles C4'-P-C4' energy: -184.532 flat angles P-C4'-P energy: -116.423 tors. eta vs tors. theta energy: -222.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2608.476623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.476623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.476623 (E_RNA) where: Base-Base interactions energy: -1799.275 where: short stacking energy: -755.927 Base-Backbone interact. energy: -3.448 local terms energy: -805.753229 where: bonds (distance) C4'-P energy: -149.795 bonds (distance) P-C4' energy: -173.807 flat angles C4'-P-C4' energy: -162.280 flat angles P-C4'-P energy: -112.674 tors. eta vs tors. theta energy: -207.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2422.983207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.983207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.983207 (E_RNA) where: Base-Base interactions energy: -1660.295 where: short stacking energy: -709.566 Base-Backbone interact. energy: -1.680 local terms energy: -761.008207 where: bonds (distance) C4'-P energy: -127.449 bonds (distance) P-C4' energy: -142.927 flat angles C4'-P-C4' energy: -180.446 flat angles P-C4'-P energy: -112.683 tors. eta vs tors. theta energy: -197.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -2187.366881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.366881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.366881 (E_RNA) where: Base-Base interactions energy: -1472.851 where: short stacking energy: -626.889 Base-Backbone interact. energy: -3.588 local terms energy: -710.927371 where: bonds (distance) C4'-P energy: -139.955 bonds (distance) P-C4' energy: -165.474 flat angles C4'-P-C4' energy: -153.403 flat angles P-C4'-P energy: -101.472 tors. eta vs tors. theta energy: -150.624 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: 9 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -2024.118101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.118101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.118101 (E_RNA) where: Base-Base interactions energy: -1388.096 where: short stacking energy: -597.524 Base-Backbone interact. energy: -1.611 local terms energy: -634.411510 where: bonds (distance) C4'-P energy: -124.547 bonds (distance) P-C4' energy: -132.227 flat angles C4'-P-C4' energy: -140.850 flat angles P-C4'-P energy: -94.983 tors. eta vs tors. theta energy: -141.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1572.051598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.051598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.051598 (E_RNA) where: Base-Base interactions energy: -1002.556 where: short stacking energy: -423.576 Base-Backbone interact. energy: -1.740 local terms energy: -567.755654 where: bonds (distance) C4'-P energy: -133.236 bonds (distance) P-C4' energy: -146.917 flat angles C4'-P-C4' energy: -118.804 flat angles P-C4'-P energy: -89.662 tors. eta vs tors. theta energy: -79.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1161.701654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.701654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.701654 (E_RNA) where: Base-Base interactions energy: -653.124 where: short stacking energy: -322.235 Base-Backbone interact. energy: 7.398 local terms energy: -516.136161 where: bonds (distance) C4'-P energy: -123.761 bonds (distance) P-C4' energy: -133.296 flat angles C4'-P-C4' energy: -138.039 flat angles P-C4'-P energy: -89.418 tors. eta vs tors. theta energy: -31.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.160 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -613.749686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.749686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.749686 (E_RNA) where: Base-Base interactions energy: -199.229 where: short stacking energy: -170.942 Base-Backbone interact. energy: -0.449 local terms energy: -414.071620 where: bonds (distance) C4'-P energy: -143.010 bonds (distance) P-C4' energy: -135.580 flat angles C4'-P-C4' energy: -110.646 flat angles P-C4'-P energy: -53.489 tors. eta vs tors. theta energy: 28.654 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: 3 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -3057.512420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.512420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.512420 (E_RNA) where: Base-Base interactions energy: -2164.518 where: short stacking energy: -868.517 Base-Backbone interact. energy: -8.857 local terms energy: -884.137317 where: bonds (distance) C4'-P energy: -161.523 bonds (distance) P-C4' energy: -169.469 flat angles C4'-P-C4' energy: -184.798 flat angles P-C4'-P energy: -132.244 tors. eta vs tors. theta energy: -236.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2836.329147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.329147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.329147 (E_RNA) where: Base-Base interactions energy: -2004.105 where: short stacking energy: -817.438 Base-Backbone interact. energy: -4.579 local terms energy: -827.645095 where: bonds (distance) C4'-P energy: -122.323 bonds (distance) P-C4' energy: -175.063 flat angles C4'-P-C4' energy: -188.066 flat angles P-C4'-P energy: -116.481 tors. eta vs tors. theta energy: -225.713 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: 1 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2731.895167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.895167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.895167 (E_RNA) where: Base-Base interactions energy: -1910.896 where: short stacking energy: -771.355 Base-Backbone interact. energy: -5.266 local terms energy: -815.733455 where: bonds (distance) C4'-P energy: -152.915 bonds (distance) P-C4' energy: -155.400 flat angles C4'-P-C4' energy: -177.689 flat angles P-C4'-P energy: -127.341 tors. eta vs tors. theta energy: -202.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2600.578212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.578212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.578212 (E_RNA) where: Base-Base interactions energy: -1826.938 where: short stacking energy: -763.038 Base-Backbone interact. energy: -3.069 local terms energy: -770.571983 where: bonds (distance) C4'-P energy: -127.860 bonds (distance) P-C4' energy: -165.176 flat angles C4'-P-C4' energy: -166.764 flat angles P-C4'-P energy: -120.209 tors. eta vs tors. theta energy: -190.562 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: 8 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2383.776132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.776132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.776132 (E_RNA) where: Base-Base interactions energy: -1638.109 where: short stacking energy: -702.682 Base-Backbone interact. energy: -4.650 local terms energy: -741.017558 where: bonds (distance) C4'-P energy: -156.880 bonds (distance) P-C4' energy: -147.456 flat angles C4'-P-C4' energy: -148.349 flat angles P-C4'-P energy: -102.420 tors. eta vs tors. theta energy: -185.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -2214.899653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.899653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.899653 (E_RNA) where: Base-Base interactions energy: -1520.592 where: short stacking energy: -629.036 Base-Backbone interact. energy: 1.598 local terms energy: -695.905116 where: bonds (distance) C4'-P energy: -125.899 bonds (distance) P-C4' energy: -149.272 flat angles C4'-P-C4' energy: -165.813 flat angles P-C4'-P energy: -95.248 tors. eta vs tors. theta energy: -159.673 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: 9 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -2068.650749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.650749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.650749 (E_RNA) where: Base-Base interactions energy: -1381.080 where: short stacking energy: -602.925 Base-Backbone interact. energy: -4.474 local terms energy: -683.097250 where: bonds (distance) C4'-P energy: -141.432 bonds (distance) P-C4' energy: -138.797 flat angles C4'-P-C4' energy: -149.764 flat angles P-C4'-P energy: -108.912 tors. eta vs tors. theta energy: -144.193 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: 8, replica: 6 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1534.850733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.850733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.850733 (E_RNA) where: Base-Base interactions energy: -964.409 where: short stacking energy: -434.249 Base-Backbone interact. energy: -1.998 local terms energy: -568.444437 where: bonds (distance) C4'-P energy: -119.217 bonds (distance) P-C4' energy: -160.574 flat angles C4'-P-C4' energy: -135.687 flat angles P-C4'-P energy: -84.720 tors. eta vs tors. theta energy: -68.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -1139.343366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.343366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.343366 (E_RNA) where: Base-Base interactions energy: -660.856 where: short stacking energy: -329.858 Base-Backbone interact. energy: 2.196 local terms energy: -480.722149 where: bonds (distance) C4'-P energy: -121.066 bonds (distance) P-C4' energy: -155.737 flat angles C4'-P-C4' energy: -120.429 flat angles P-C4'-P energy: -70.518 tors. eta vs tors. theta energy: -12.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.039 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -631.251732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.251732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.251732 (E_RNA) where: Base-Base interactions energy: -227.844 where: short stacking energy: -161.039 Base-Backbone interact. energy: -1.505 local terms energy: -401.903024 where: bonds (distance) C4'-P energy: -111.691 bonds (distance) P-C4' energy: -145.041 flat angles C4'-P-C4' energy: -116.777 flat angles P-C4'-P energy: -62.192 tors. eta vs tors. theta energy: 33.797 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: 1, replica: 3 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -3080.277550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.277550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.277550 (E_RNA) where: Base-Base interactions energy: -2200.568 where: short stacking energy: -868.449 Base-Backbone interact. energy: -6.549 local terms energy: -873.160320 where: bonds (distance) C4'-P energy: -160.693 bonds (distance) P-C4' energy: -150.277 flat angles C4'-P-C4' energy: -192.423 flat angles P-C4'-P energy: -131.537 tors. eta vs tors. theta energy: -238.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2862.851747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.851747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.851747 (E_RNA) where: Base-Base interactions energy: -1996.298 where: short stacking energy: -825.443 Base-Backbone interact. energy: -1.594 local terms energy: -864.960140 where: bonds (distance) C4'-P energy: -158.670 bonds (distance) P-C4' energy: -171.571 flat angles C4'-P-C4' energy: -176.219 flat angles P-C4'-P energy: -130.035 tors. eta vs tors. theta energy: -228.465 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: 1 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2723.344709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.344709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.344709 (E_RNA) where: Base-Base interactions energy: -1900.611 where: short stacking energy: -788.425 Base-Backbone interact. energy: -4.648 local terms energy: -818.086408 where: bonds (distance) C4'-P energy: -150.621 bonds (distance) P-C4' energy: -165.199 flat angles C4'-P-C4' energy: -168.264 flat angles P-C4'-P energy: -120.226 tors. eta vs tors. theta energy: -213.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2604.765690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.765690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.765690 (E_RNA) where: Base-Base interactions energy: -1813.149 where: short stacking energy: -742.293 Base-Backbone interact. energy: -4.850 local terms energy: -786.766803 where: bonds (distance) C4'-P energy: -139.491 bonds (distance) P-C4' energy: -158.054 flat angles C4'-P-C4' energy: -168.661 flat angles P-C4'-P energy: -109.427 tors. eta vs tors. theta energy: -211.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2374.439625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.439625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.439625 (E_RNA) where: Base-Base interactions energy: -1636.769 where: short stacking energy: -692.671 Base-Backbone interact. energy: -5.748 local terms energy: -731.922572 where: bonds (distance) C4'-P energy: -136.467 bonds (distance) P-C4' energy: -160.456 flat angles C4'-P-C4' energy: -145.277 flat angles P-C4'-P energy: -110.336 tors. eta vs tors. theta energy: -179.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -2200.705426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.705426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.705426 (E_RNA) where: Base-Base interactions energy: -1512.592 where: short stacking energy: -646.705 Base-Backbone interact. energy: -2.457 local terms energy: -685.656739 where: bonds (distance) C4'-P energy: -112.380 bonds (distance) P-C4' energy: -153.541 flat angles C4'-P-C4' energy: -161.791 flat angles P-C4'-P energy: -102.878 tors. eta vs tors. theta energy: -155.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -2072.109993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.109993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.109993 (E_RNA) where: Base-Base interactions energy: -1387.433 where: short stacking energy: -605.780 Base-Backbone interact. energy: -1.661 local terms energy: -683.016321 where: bonds (distance) C4'-P energy: -145.936 bonds (distance) P-C4' energy: -143.748 flat angles C4'-P-C4' energy: -152.066 flat angles P-C4'-P energy: -97.921 tors. eta vs tors. theta energy: -143.345 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: 8, replica: 6 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1551.157142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.157142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.157142 (E_RNA) where: Base-Base interactions energy: -982.611 where: short stacking energy: -458.269 Base-Backbone interact. energy: -2.536 local terms energy: -566.010445 where: bonds (distance) C4'-P energy: -123.412 bonds (distance) P-C4' energy: -136.228 flat angles C4'-P-C4' energy: -139.805 flat angles P-C4'-P energy: -80.764 tors. eta vs tors. theta energy: -85.802 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: 2 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1140.922924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.922924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.922924 (E_RNA) where: Base-Base interactions energy: -631.460 where: short stacking energy: -321.818 Base-Backbone interact. energy: 2.997 local terms energy: -512.560089 where: bonds (distance) C4'-P energy: -125.722 bonds (distance) P-C4' energy: -164.051 flat angles C4'-P-C4' energy: -104.107 flat angles P-C4'-P energy: -81.992 tors. eta vs tors. theta energy: -36.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.100 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -628.710986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.710986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.710986 (E_RNA) where: Base-Base interactions energy: -208.364 where: short stacking energy: -185.779 Base-Backbone interact. energy: 2.003 local terms energy: -422.349850 where: bonds (distance) C4'-P energy: -120.193 bonds (distance) P-C4' energy: -142.041 flat angles C4'-P-C4' energy: -118.955 flat angles P-C4'-P energy: -86.484 tors. eta vs tors. theta energy: 45.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -3087.544579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.544579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.544579 (E_RNA) where: Base-Base interactions energy: -2201.866 where: short stacking energy: -861.760 Base-Backbone interact. energy: -2.696 local terms energy: -882.982357 where: bonds (distance) C4'-P energy: -152.742 bonds (distance) P-C4' energy: -177.916 flat angles C4'-P-C4' energy: -179.700 flat angles P-C4'-P energy: -135.305 tors. eta vs tors. theta energy: -237.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2848.968694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.968694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.968694 (E_RNA) where: Base-Base interactions energy: -2036.733 where: short stacking energy: -801.143 Base-Backbone interact. energy: -3.368 local terms energy: -808.867498 where: bonds (distance) C4'-P energy: -147.824 bonds (distance) P-C4' energy: -158.451 flat angles C4'-P-C4' energy: -160.454 flat angles P-C4'-P energy: -119.367 tors. eta vs tors. theta energy: -222.771 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: 1 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2727.635575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.635575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.635575 (E_RNA) where: Base-Base interactions energy: -1903.053 where: short stacking energy: -763.206 Base-Backbone interact. energy: -6.061 local terms energy: -818.521951 where: bonds (distance) C4'-P energy: -156.198 bonds (distance) P-C4' energy: -155.455 flat angles C4'-P-C4' energy: -172.044 flat angles P-C4'-P energy: -122.286 tors. eta vs tors. theta energy: -212.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2577.004053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.004053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.004053 (E_RNA) where: Base-Base interactions energy: -1776.838 where: short stacking energy: -736.240 Base-Backbone interact. energy: -4.292 local terms energy: -795.873483 where: bonds (distance) C4'-P energy: -133.779 bonds (distance) P-C4' energy: -167.710 flat angles C4'-P-C4' energy: -170.042 flat angles P-C4'-P energy: -121.864 tors. eta vs tors. theta energy: -202.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2378.855237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.855237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.855237 (E_RNA) where: Base-Base interactions energy: -1611.395 where: short stacking energy: -688.002 Base-Backbone interact. energy: -1.906 local terms energy: -765.553873 where: bonds (distance) C4'-P energy: -143.605 bonds (distance) P-C4' energy: -166.958 flat angles C4'-P-C4' energy: -164.155 flat angles P-C4'-P energy: -104.960 tors. eta vs tors. theta energy: -185.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -2177.692429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.692429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.692429 (E_RNA) where: Base-Base interactions energy: -1451.461 where: short stacking energy: -625.383 Base-Backbone interact. energy: -5.032 local terms energy: -721.494090 where: bonds (distance) C4'-P energy: -155.554 bonds (distance) P-C4' energy: -136.577 flat angles C4'-P-C4' energy: -169.704 flat angles P-C4'-P energy: -105.441 tors. eta vs tors. theta energy: -154.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.295 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1997.288974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.288974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.288974 (E_RNA) where: Base-Base interactions energy: -1350.389 where: short stacking energy: -579.028 Base-Backbone interact. energy: -3.133 local terms energy: -643.767247 where: bonds (distance) C4'-P energy: -126.330 bonds (distance) P-C4' energy: -143.293 flat angles C4'-P-C4' energy: -136.783 flat angles P-C4'-P energy: -101.733 tors. eta vs tors. theta energy: -135.629 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: 6 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1545.714701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.714701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.714701 (E_RNA) where: Base-Base interactions energy: -1008.948 where: short stacking energy: -426.734 Base-Backbone interact. energy: 1.784 local terms energy: -538.550799 where: bonds (distance) C4'-P energy: -114.968 bonds (distance) P-C4' energy: -123.772 flat angles C4'-P-C4' energy: -140.043 flat angles P-C4'-P energy: -96.722 tors. eta vs tors. theta energy: -63.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -1114.892909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.892909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.892909 (E_RNA) where: Base-Base interactions energy: -638.986 where: short stacking energy: -322.580 Base-Backbone interact. energy: 5.066 local terms energy: -480.972421 where: bonds (distance) C4'-P energy: -118.712 bonds (distance) P-C4' energy: -154.242 flat angles C4'-P-C4' energy: -110.240 flat angles P-C4'-P energy: -81.889 tors. eta vs tors. theta energy: -15.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -614.414548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.414548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.414548 (E_RNA) where: Base-Base interactions energy: -201.833 where: short stacking energy: -185.695 Base-Backbone interact. energy: -0.762 local terms energy: -411.819331 where: bonds (distance) C4'-P energy: -137.910 bonds (distance) P-C4' energy: -140.894 flat angles C4'-P-C4' energy: -117.146 flat angles P-C4'-P energy: -49.104 tors. eta vs tors. theta energy: 33.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -3098.370459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.370459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.370459 (E_RNA) where: Base-Base interactions energy: -2200.248 where: short stacking energy: -898.939 Base-Backbone interact. energy: -8.078 local terms energy: -890.044143 where: bonds (distance) C4'-P energy: -142.752 bonds (distance) P-C4' energy: -183.473 flat angles C4'-P-C4' energy: -194.821 flat angles P-C4'-P energy: -123.358 tors. eta vs tors. theta energy: -245.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2842.428917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.428917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.428917 (E_RNA) where: Base-Base interactions energy: -2012.923 where: short stacking energy: -796.384 Base-Backbone interact. energy: -7.226 local terms energy: -822.280403 where: bonds (distance) C4'-P energy: -149.288 bonds (distance) P-C4' energy: -157.249 flat angles C4'-P-C4' energy: -175.159 flat angles P-C4'-P energy: -134.329 tors. eta vs tors. theta energy: -206.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2733.927224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.927224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.927224 (E_RNA) where: Base-Base interactions energy: -1915.490 where: short stacking energy: -780.481 Base-Backbone interact. energy: -1.412 local terms energy: -817.025717 where: bonds (distance) C4'-P energy: -161.809 bonds (distance) P-C4' energy: -159.111 flat angles C4'-P-C4' energy: -161.891 flat angles P-C4'-P energy: -118.034 tors. eta vs tors. theta energy: -216.181 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: 7 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2559.693206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.693206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.693206 (E_RNA) where: Base-Base interactions energy: -1782.433 where: short stacking energy: -757.895 Base-Backbone interact. energy: 5.474 local terms energy: -782.734182 where: bonds (distance) C4'-P energy: -154.738 bonds (distance) P-C4' energy: -136.767 flat angles C4'-P-C4' energy: -163.383 flat angles P-C4'-P energy: -120.181 tors. eta vs tors. theta energy: -207.664 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: 8 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2407.953037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.953037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.953037 (E_RNA) where: Base-Base interactions energy: -1621.808 where: short stacking energy: -663.829 Base-Backbone interact. energy: -0.602 local terms energy: -785.542253 where: bonds (distance) C4'-P energy: -145.057 bonds (distance) P-C4' energy: -157.137 flat angles C4'-P-C4' energy: -169.115 flat angles P-C4'-P energy: -127.598 tors. eta vs tors. theta energy: -186.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -2210.639802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.639802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.639802 (E_RNA) where: Base-Base interactions energy: -1512.013 where: short stacking energy: -653.044 Base-Backbone interact. energy: -1.766 local terms energy: -696.860553 where: bonds (distance) C4'-P energy: -136.257 bonds (distance) P-C4' energy: -148.044 flat angles C4'-P-C4' energy: -158.150 flat angles P-C4'-P energy: -92.448 tors. eta vs tors. theta energy: -161.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -2051.452971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.452971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.452971 (E_RNA) where: Base-Base interactions energy: -1422.089 where: short stacking energy: -577.447 Base-Backbone interact. energy: -1.022 local terms energy: -628.342278 where: bonds (distance) C4'-P energy: -121.862 bonds (distance) P-C4' energy: -133.695 flat angles C4'-P-C4' energy: -135.971 flat angles P-C4'-P energy: -92.844 tors. eta vs tors. theta energy: -143.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1591.530027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.530027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.530027 (E_RNA) where: Base-Base interactions energy: -992.588 where: short stacking energy: -444.075 Base-Backbone interact. energy: 1.333 local terms energy: -600.275564 where: bonds (distance) C4'-P energy: -122.151 bonds (distance) P-C4' energy: -159.555 flat angles C4'-P-C4' energy: -160.673 flat angles P-C4'-P energy: -77.207 tors. eta vs tors. theta energy: -80.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1183.213731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.213731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.213731 (E_RNA) where: Base-Base interactions energy: -707.426 where: short stacking energy: -340.976 Base-Backbone interact. energy: -4.198 local terms energy: -471.589590 where: bonds (distance) C4'-P energy: -123.706 bonds (distance) P-C4' energy: -135.528 flat angles C4'-P-C4' energy: -95.936 flat angles P-C4'-P energy: -80.066 tors. eta vs tors. theta energy: -36.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -608.786383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.786383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.786383 (E_RNA) where: Base-Base interactions energy: -214.773 where: short stacking energy: -192.181 Base-Backbone interact. energy: 5.772 local terms energy: -399.785550 where: bonds (distance) C4'-P energy: -120.434 bonds (distance) P-C4' energy: -110.273 flat angles C4'-P-C4' energy: -134.506 flat angles P-C4'-P energy: -70.067 tors. eta vs tors. theta energy: 35.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -3082.880288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.880288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.880288 (E_RNA) where: Base-Base interactions energy: -2183.779 where: short stacking energy: -858.433 Base-Backbone interact. energy: -4.571 local terms energy: -894.531087 where: bonds (distance) C4'-P energy: -144.024 bonds (distance) P-C4' energy: -175.488 flat angles C4'-P-C4' energy: -194.603 flat angles P-C4'-P energy: -135.778 tors. eta vs tors. theta energy: -244.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2854.508872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.508872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.508872 (E_RNA) where: Base-Base interactions energy: -2011.722 where: short stacking energy: -800.785 Base-Backbone interact. energy: -2.088 local terms energy: -840.698722 where: bonds (distance) C4'-P energy: -162.885 bonds (distance) P-C4' energy: -164.322 flat angles C4'-P-C4' energy: -169.948 flat angles P-C4'-P energy: -122.581 tors. eta vs tors. theta energy: -220.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2760.936638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.936638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.936638 (E_RNA) where: Base-Base interactions energy: -1937.989 where: short stacking energy: -812.030 Base-Backbone interact. energy: -3.266 local terms energy: -819.680850 where: bonds (distance) C4'-P energy: -141.303 bonds (distance) P-C4' energy: -157.506 flat angles C4'-P-C4' energy: -187.570 flat angles P-C4'-P energy: -107.022 tors. eta vs tors. theta energy: -226.280 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: 7 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2604.566469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.566469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.566469 (E_RNA) where: Base-Base interactions energy: -1806.993 where: short stacking energy: -744.924 Base-Backbone interact. energy: -3.697 local terms energy: -793.875602 where: bonds (distance) C4'-P energy: -160.121 bonds (distance) P-C4' energy: -151.144 flat angles C4'-P-C4' energy: -161.396 flat angles P-C4'-P energy: -113.282 tors. eta vs tors. theta energy: -207.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2407.324685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.324685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.324685 (E_RNA) where: Base-Base interactions energy: -1656.038 where: short stacking energy: -701.078 Base-Backbone interact. energy: 0.486 local terms energy: -751.772459 where: bonds (distance) C4'-P energy: -146.485 bonds (distance) P-C4' energy: -151.188 flat angles C4'-P-C4' energy: -164.044 flat angles P-C4'-P energy: -114.104 tors. eta vs tors. theta energy: -175.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -2185.427388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.427388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.427388 (E_RNA) where: Base-Base interactions energy: -1468.022 where: short stacking energy: -640.190 Base-Backbone interact. energy: -3.265 local terms energy: -714.139897 where: bonds (distance) C4'-P energy: -138.647 bonds (distance) P-C4' energy: -153.240 flat angles C4'-P-C4' energy: -162.151 flat angles P-C4'-P energy: -109.870 tors. eta vs tors. theta energy: -150.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -2085.104968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.104968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.104968 (E_RNA) where: Base-Base interactions energy: -1439.719 where: short stacking energy: -610.426 Base-Backbone interact. energy: 2.928 local terms energy: -648.313937 where: bonds (distance) C4'-P energy: -125.131 bonds (distance) P-C4' energy: -157.480 flat angles C4'-P-C4' energy: -132.950 flat angles P-C4'-P energy: -88.475 tors. eta vs tors. theta energy: -144.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1552.378498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.378498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.378498 (E_RNA) where: Base-Base interactions energy: -976.919 where: short stacking energy: -473.449 Base-Backbone interact. energy: -1.210 local terms energy: -574.248968 where: bonds (distance) C4'-P energy: -116.063 bonds (distance) P-C4' energy: -153.414 flat angles C4'-P-C4' energy: -138.213 flat angles P-C4'-P energy: -82.796 tors. eta vs tors. theta energy: -83.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1170.623851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.623851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.623851 (E_RNA) where: Base-Base interactions energy: -670.183 where: short stacking energy: -331.595 Base-Backbone interact. energy: 2.056 local terms energy: -502.496471 where: bonds (distance) C4'-P energy: -121.860 bonds (distance) P-C4' energy: -153.314 flat angles C4'-P-C4' energy: -119.267 flat angles P-C4'-P energy: -83.528 tors. eta vs tors. theta energy: -24.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -604.829447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.829447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.829447 (E_RNA) where: Base-Base interactions energy: -199.410 where: short stacking energy: -187.818 Base-Backbone interact. energy: 2.218 local terms energy: -407.637498 where: bonds (distance) C4'-P energy: -111.184 bonds (distance) P-C4' energy: -132.825 flat angles C4'-P-C4' energy: -118.243 flat angles P-C4'-P energy: -64.894 tors. eta vs tors. theta energy: 19.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -3066.242412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.242412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.242412 (E_RNA) where: Base-Base interactions energy: -2181.358 where: short stacking energy: -871.826 Base-Backbone interact. energy: -1.217 local terms energy: -883.667449 where: bonds (distance) C4'-P energy: -153.144 bonds (distance) P-C4' energy: -167.205 flat angles C4'-P-C4' energy: -179.456 flat angles P-C4'-P energy: -134.038 tors. eta vs tors. theta energy: -249.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2863.595987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.595987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.595987 (E_RNA) where: Base-Base interactions energy: -2031.903 where: short stacking energy: -833.475 Base-Backbone interact. energy: 0.968 local terms energy: -832.660957 where: bonds (distance) C4'-P energy: -139.685 bonds (distance) P-C4' energy: -164.062 flat angles C4'-P-C4' energy: -184.040 flat angles P-C4'-P energy: -121.028 tors. eta vs tors. theta energy: -223.846 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: 1 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2762.980478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.980478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.980478 (E_RNA) where: Base-Base interactions energy: -1936.328 where: short stacking energy: -809.139 Base-Backbone interact. energy: -2.567 local terms energy: -824.085406 where: bonds (distance) C4'-P energy: -144.457 bonds (distance) P-C4' energy: -167.557 flat angles C4'-P-C4' energy: -188.003 flat angles P-C4'-P energy: -111.803 tors. eta vs tors. theta energy: -212.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2572.948113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.948113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.948113 (E_RNA) where: Base-Base interactions energy: -1739.701 where: short stacking energy: -756.398 Base-Backbone interact. energy: -1.027 local terms energy: -832.219792 where: bonds (distance) C4'-P energy: -134.983 bonds (distance) P-C4' energy: -188.431 flat angles C4'-P-C4' energy: -180.078 flat angles P-C4'-P energy: -117.935 tors. eta vs tors. theta energy: -210.793 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: 8 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2410.515237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.515237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.515237 (E_RNA) where: Base-Base interactions energy: -1664.553 where: short stacking energy: -699.664 Base-Backbone interact. energy: -2.631 local terms energy: -743.331401 where: bonds (distance) C4'-P energy: -150.645 bonds (distance) P-C4' energy: -164.799 flat angles C4'-P-C4' energy: -155.406 flat angles P-C4'-P energy: -88.738 tors. eta vs tors. theta energy: -183.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -2190.229465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.229465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.229465 (E_RNA) where: Base-Base interactions energy: -1497.778 where: short stacking energy: -672.995 Base-Backbone interact. energy: -2.034 local terms energy: -690.417385 where: bonds (distance) C4'-P energy: -115.801 bonds (distance) P-C4' energy: -153.411 flat angles C4'-P-C4' energy: -158.419 flat angles P-C4'-P energy: -99.592 tors. eta vs tors. theta energy: -163.194 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: 9 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -2067.492439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.492439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.492439 (E_RNA) where: Base-Base interactions energy: -1388.708 where: short stacking energy: -602.745 Base-Backbone interact. energy: -0.801 local terms energy: -677.983094 where: bonds (distance) C4'-P energy: -127.576 bonds (distance) P-C4' energy: -145.527 flat angles C4'-P-C4' energy: -165.593 flat angles P-C4'-P energy: -95.110 tors. eta vs tors. theta energy: -144.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1551.797474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.797474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.797474 (E_RNA) where: Base-Base interactions energy: -972.160 where: short stacking energy: -465.026 Base-Backbone interact. energy: -3.043 local terms energy: -576.594719 where: bonds (distance) C4'-P energy: -136.973 bonds (distance) P-C4' energy: -141.800 flat angles C4'-P-C4' energy: -125.409 flat angles P-C4'-P energy: -85.194 tors. eta vs tors. theta energy: -87.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1163.228399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.228399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.228399 (E_RNA) where: Base-Base interactions energy: -678.708 where: short stacking energy: -331.662 Base-Backbone interact. energy: 0.466 local terms energy: -484.986536 where: bonds (distance) C4'-P energy: -147.458 bonds (distance) P-C4' energy: -133.035 flat angles C4'-P-C4' energy: -107.301 flat angles P-C4'-P energy: -72.504 tors. eta vs tors. theta energy: -24.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -688.695125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.695125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.695125 (E_RNA) where: Base-Base interactions energy: -280.935 where: short stacking energy: -189.764 Base-Backbone interact. energy: -3.766 local terms energy: -403.994060 where: bonds (distance) C4'-P energy: -152.586 bonds (distance) P-C4' energy: -129.238 flat angles C4'-P-C4' energy: -96.822 flat angles P-C4'-P energy: -56.985 tors. eta vs tors. theta energy: 31.638 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: 3 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -3084.605666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.605666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.605666 (E_RNA) where: Base-Base interactions energy: -2178.072 where: short stacking energy: -891.921 Base-Backbone interact. energy: -3.188 local terms energy: -903.346282 where: bonds (distance) C4'-P energy: -154.869 bonds (distance) P-C4' energy: -169.593 flat angles C4'-P-C4' energy: -196.657 flat angles P-C4'-P energy: -134.574 tors. eta vs tors. theta energy: -247.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2832.591097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.591097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.591097 (E_RNA) where: Base-Base interactions energy: -2010.966 where: short stacking energy: -796.866 Base-Backbone interact. energy: 8.440 local terms energy: -830.065158 where: bonds (distance) C4'-P energy: -158.681 bonds (distance) P-C4' energy: -174.539 flat angles C4'-P-C4' energy: -170.610 flat angles P-C4'-P energy: -110.999 tors. eta vs tors. theta energy: -215.236 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: 3, replica: 1 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2731.235064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.235064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.235064 (E_RNA) where: Base-Base interactions energy: -1921.150 where: short stacking energy: -817.951 Base-Backbone interact. energy: -5.051 local terms energy: -805.034105 where: bonds (distance) C4'-P energy: -157.528 bonds (distance) P-C4' energy: -156.503 flat angles C4'-P-C4' energy: -170.753 flat angles P-C4'-P energy: -114.628 tors. eta vs tors. theta energy: -205.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2567.872552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.872552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.872552 (E_RNA) where: Base-Base interactions energy: -1789.479 where: short stacking energy: -762.808 Base-Backbone interact. energy: 1.140 local terms energy: -779.533910 where: bonds (distance) C4'-P energy: -156.265 bonds (distance) P-C4' energy: -160.988 flat angles C4'-P-C4' energy: -152.464 flat angles P-C4'-P energy: -103.317 tors. eta vs tors. theta energy: -206.500 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: 8 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2374.562299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.562299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.562299 (E_RNA) where: Base-Base interactions energy: -1640.776 where: short stacking energy: -656.349 Base-Backbone interact. energy: -0.910 local terms energy: -732.875990 where: bonds (distance) C4'-P energy: -145.236 bonds (distance) P-C4' energy: -164.332 flat angles C4'-P-C4' energy: -156.956 flat angles P-C4'-P energy: -108.663 tors. eta vs tors. theta energy: -157.689 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: 6, replica: 4 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -2149.532182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.532182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.532182 (E_RNA) where: Base-Base interactions energy: -1453.687 where: short stacking energy: -640.295 Base-Backbone interact. energy: -2.058 local terms energy: -693.787654 where: bonds (distance) C4'-P energy: -135.668 bonds (distance) P-C4' energy: -141.293 flat angles C4'-P-C4' energy: -153.334 flat angles P-C4'-P energy: -90.937 tors. eta vs tors. theta energy: -172.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -2048.621828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.621828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.621828 (E_RNA) where: Base-Base interactions energy: -1396.927 where: short stacking energy: -593.509 Base-Backbone interact. energy: 5.983 local terms energy: -657.678259 where: bonds (distance) C4'-P energy: -123.391 bonds (distance) P-C4' energy: -157.849 flat angles C4'-P-C4' energy: -144.788 flat angles P-C4'-P energy: -98.643 tors. eta vs tors. theta energy: -133.007 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: 8, replica: 6 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1551.281078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.281078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.281078 (E_RNA) where: Base-Base interactions energy: -966.401 where: short stacking energy: -437.312 Base-Backbone interact. energy: -1.861 local terms energy: -583.060807 where: bonds (distance) C4'-P energy: -133.685 bonds (distance) P-C4' energy: -149.496 flat angles C4'-P-C4' energy: -120.477 flat angles P-C4'-P energy: -94.949 tors. eta vs tors. theta energy: -84.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.042 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -1163.857113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.857113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.857113 (E_RNA) where: Base-Base interactions energy: -661.493 where: short stacking energy: -331.210 Base-Backbone interact. energy: 0.651 local terms energy: -503.014743 where: bonds (distance) C4'-P energy: -136.330 bonds (distance) P-C4' energy: -133.757 flat angles C4'-P-C4' energy: -123.718 flat angles P-C4'-P energy: -78.711 tors. eta vs tors. theta energy: -30.499 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: 10 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -626.758605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.758605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.758605 (E_RNA) where: Base-Base interactions energy: -221.755 where: short stacking energy: -170.354 Base-Backbone interact. energy: 3.433 local terms energy: -408.435790 where: bonds (distance) C4'-P energy: -101.481 bonds (distance) P-C4' energy: -145.244 flat angles C4'-P-C4' energy: -123.669 flat angles P-C4'-P energy: -62.873 tors. eta vs tors. theta energy: 24.832 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: 1, replica: 3 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -3065.116862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.116862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.116862 (E_RNA) where: Base-Base interactions energy: -2159.917 where: short stacking energy: -873.535 Base-Backbone interact. energy: -3.228 local terms energy: -901.972088 where: bonds (distance) C4'-P energy: -160.087 bonds (distance) P-C4' energy: -178.527 flat angles C4'-P-C4' energy: -194.355 flat angles P-C4'-P energy: -120.373 tors. eta vs tors. theta energy: -248.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2860.253382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.253382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.253382 (E_RNA) where: Base-Base interactions energy: -2025.141 where: short stacking energy: -804.051 Base-Backbone interact. energy: -1.426 local terms energy: -833.686461 where: bonds (distance) C4'-P energy: -127.463 bonds (distance) P-C4' energy: -170.631 flat angles C4'-P-C4' energy: -181.753 flat angles P-C4'-P energy: -130.505 tors. eta vs tors. theta energy: -223.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2746.310081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.310081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.310081 (E_RNA) where: Base-Base interactions energy: -1925.910 where: short stacking energy: -766.214 Base-Backbone interact. energy: -6.022 local terms energy: -814.377331 where: bonds (distance) C4'-P energy: -151.209 bonds (distance) P-C4' energy: -168.258 flat angles C4'-P-C4' energy: -176.923 flat angles P-C4'-P energy: -103.215 tors. eta vs tors. theta energy: -214.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2591.919771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.919771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.919771 (E_RNA) where: Base-Base interactions energy: -1791.375 where: short stacking energy: -755.653 Base-Backbone interact. energy: -0.744 local terms energy: -799.800920 where: bonds (distance) C4'-P energy: -134.766 bonds (distance) P-C4' energy: -170.576 flat angles C4'-P-C4' energy: -168.203 flat angles P-C4'-P energy: -121.008 tors. eta vs tors. theta energy: -205.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2402.921160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.921160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.921160 (E_RNA) where: Base-Base interactions energy: -1679.655 where: short stacking energy: -699.160 Base-Backbone interact. energy: 0.217 local terms energy: -723.483248 where: bonds (distance) C4'-P energy: -117.792 bonds (distance) P-C4' energy: -141.162 flat angles C4'-P-C4' energy: -177.513 flat angles P-C4'-P energy: -101.550 tors. eta vs tors. theta energy: -185.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -2215.903306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.903306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.903306 (E_RNA) where: Base-Base interactions energy: -1524.862 where: short stacking energy: -644.353 Base-Backbone interact. energy: -3.433 local terms energy: -687.608131 where: bonds (distance) C4'-P energy: -124.645 bonds (distance) P-C4' energy: -139.074 flat angles C4'-P-C4' energy: -162.802 flat angles P-C4'-P energy: -113.704 tors. eta vs tors. theta energy: -147.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -2020.501490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.501490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.501490 (E_RNA) where: Base-Base interactions energy: -1345.950 where: short stacking energy: -586.225 Base-Backbone interact. energy: -4.931 local terms energy: -669.620435 where: bonds (distance) C4'-P energy: -142.544 bonds (distance) P-C4' energy: -142.610 flat angles C4'-P-C4' energy: -154.910 flat angles P-C4'-P energy: -86.614 tors. eta vs tors. theta energy: -142.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1594.639078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.639078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.639078 (E_RNA) where: Base-Base interactions energy: -990.794 where: short stacking energy: -446.804 Base-Backbone interact. energy: 2.503 local terms energy: -606.348695 where: bonds (distance) C4'-P energy: -136.389 bonds (distance) P-C4' energy: -149.013 flat angles C4'-P-C4' energy: -144.310 flat angles P-C4'-P energy: -99.758 tors. eta vs tors. theta energy: -76.878 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: 2 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1219.663718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.663718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.663718 (E_RNA) where: Base-Base interactions energy: -696.165 where: short stacking energy: -369.038 Base-Backbone interact. energy: 3.948 local terms energy: -527.447433 where: bonds (distance) C4'-P energy: -129.245 bonds (distance) P-C4' energy: -145.287 flat angles C4'-P-C4' energy: -132.779 flat angles P-C4'-P energy: -73.559 tors. eta vs tors. theta energy: -46.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -614.566095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.566095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.566095 (E_RNA) where: Base-Base interactions energy: -194.361 where: short stacking energy: -152.096 Base-Backbone interact. energy: 0.414 local terms energy: -420.618994 where: bonds (distance) C4'-P energy: -131.905 bonds (distance) P-C4' energy: -124.420 flat angles C4'-P-C4' energy: -107.678 flat angles P-C4'-P energy: -82.025 tors. eta vs tors. theta energy: 25.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -3068.908419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.908419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.908419 (E_RNA) where: Base-Base interactions energy: -2169.918 where: short stacking energy: -867.189 Base-Backbone interact. energy: -6.630 local terms energy: -892.361062 where: bonds (distance) C4'-P energy: -165.150 bonds (distance) P-C4' energy: -163.094 flat angles C4'-P-C4' energy: -192.255 flat angles P-C4'-P energy: -127.514 tors. eta vs tors. theta energy: -244.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2860.520244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.520244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.520244 (E_RNA) where: Base-Base interactions energy: -1988.756 where: short stacking energy: -797.773 Base-Backbone interact. energy: -0.176 local terms energy: -871.588865 where: bonds (distance) C4'-P energy: -154.402 bonds (distance) P-C4' energy: -176.519 flat angles C4'-P-C4' energy: -174.586 flat angles P-C4'-P energy: -137.550 tors. eta vs tors. theta energy: -228.532 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: 1 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2757.008306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.008306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.008306 (E_RNA) where: Base-Base interactions energy: -1926.361 where: short stacking energy: -800.584 Base-Backbone interact. energy: -7.282 local terms energy: -823.365626 where: bonds (distance) C4'-P energy: -151.694 bonds (distance) P-C4' energy: -158.110 flat angles C4'-P-C4' energy: -186.643 flat angles P-C4'-P energy: -115.659 tors. eta vs tors. theta energy: -211.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2584.426632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.426632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.426632 (E_RNA) where: Base-Base interactions energy: -1768.852 where: short stacking energy: -752.641 Base-Backbone interact. energy: -3.132 local terms energy: -812.443279 where: bonds (distance) C4'-P energy: -153.361 bonds (distance) P-C4' energy: -174.096 flat angles C4'-P-C4' energy: -160.099 flat angles P-C4'-P energy: -110.191 tors. eta vs tors. theta energy: -214.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2439.346045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.346045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.346045 (E_RNA) where: Base-Base interactions energy: -1665.113 where: short stacking energy: -694.332 Base-Backbone interact. energy: -3.253 local terms energy: -770.980809 where: bonds (distance) C4'-P energy: -134.539 bonds (distance) P-C4' energy: -163.127 flat angles C4'-P-C4' energy: -161.718 flat angles P-C4'-P energy: -129.401 tors. eta vs tors. theta energy: -182.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -2228.775072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.775072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.775072 (E_RNA) where: Base-Base interactions energy: -1551.770 where: short stacking energy: -644.489 Base-Backbone interact. energy: 4.733 local terms energy: -681.738843 where: bonds (distance) C4'-P energy: -143.264 bonds (distance) P-C4' energy: -138.476 flat angles C4'-P-C4' energy: -152.715 flat angles P-C4'-P energy: -94.393 tors. eta vs tors. theta energy: -152.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -2168.268069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.268069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.268069 (E_RNA) where: Base-Base interactions energy: -1474.139 where: short stacking energy: -643.660 Base-Backbone interact. energy: -2.425 local terms energy: -691.703609 where: bonds (distance) C4'-P energy: -165.339 bonds (distance) P-C4' energy: -139.744 flat angles C4'-P-C4' energy: -137.721 flat angles P-C4'-P energy: -96.096 tors. eta vs tors. theta energy: -152.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1626.259096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.259096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.259096 (E_RNA) where: Base-Base interactions energy: -1025.241 where: short stacking energy: -471.585 Base-Backbone interact. energy: -1.880 local terms energy: -599.137464 where: bonds (distance) C4'-P energy: -132.633 bonds (distance) P-C4' energy: -148.071 flat angles C4'-P-C4' energy: -146.083 flat angles P-C4'-P energy: -75.945 tors. eta vs tors. theta energy: -96.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -1176.820519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.820519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.820519 (E_RNA) where: Base-Base interactions energy: -674.373 where: short stacking energy: -335.291 Base-Backbone interact. energy: 1.872 local terms energy: -504.319717 where: bonds (distance) C4'-P energy: -141.216 bonds (distance) P-C4' energy: -144.939 flat angles C4'-P-C4' energy: -141.637 flat angles P-C4'-P energy: -67.557 tors. eta vs tors. theta energy: -8.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -652.358998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.358998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.358998 (E_RNA) where: Base-Base interactions energy: -234.177 where: short stacking energy: -200.218 Base-Backbone interact. energy: -2.834 local terms energy: -415.348534 where: bonds (distance) C4'-P energy: -125.682 bonds (distance) P-C4' energy: -161.341 flat angles C4'-P-C4' energy: -106.967 flat angles P-C4'-P energy: -45.360 tors. eta vs tors. theta energy: 24.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -3086.301520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.301520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.301520 (E_RNA) where: Base-Base interactions energy: -2185.073 where: short stacking energy: -860.861 Base-Backbone interact. energy: -5.271 local terms energy: -895.956951 where: bonds (distance) C4'-P energy: -166.124 bonds (distance) P-C4' energy: -172.519 flat angles C4'-P-C4' energy: -187.910 flat angles P-C4'-P energy: -127.180 tors. eta vs tors. theta energy: -242.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2845.290209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.290209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.290209 (E_RNA) where: Base-Base interactions energy: -1990.649 where: short stacking energy: -804.287 Base-Backbone interact. energy: -8.157 local terms energy: -846.484308 where: bonds (distance) C4'-P energy: -152.319 bonds (distance) P-C4' energy: -151.884 flat angles C4'-P-C4' energy: -184.072 flat angles P-C4'-P energy: -130.286 tors. eta vs tors. theta energy: -227.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2722.480512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.480512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.480512 (E_RNA) where: Base-Base interactions energy: -1900.726 where: short stacking energy: -783.030 Base-Backbone interact. energy: -3.790 local terms energy: -817.963865 where: bonds (distance) C4'-P energy: -150.508 bonds (distance) P-C4' energy: -165.360 flat angles C4'-P-C4' energy: -170.465 flat angles P-C4'-P energy: -122.390 tors. eta vs tors. theta energy: -209.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2591.273989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.273989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.273989 (E_RNA) where: Base-Base interactions energy: -1793.064 where: short stacking energy: -718.318 Base-Backbone interact. energy: -3.055 local terms energy: -795.155384 where: bonds (distance) C4'-P energy: -145.764 bonds (distance) P-C4' energy: -171.120 flat angles C4'-P-C4' energy: -169.765 flat angles P-C4'-P energy: -119.466 tors. eta vs tors. theta energy: -189.040 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: 8 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2444.103129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.103129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.103129 (E_RNA) where: Base-Base interactions energy: -1679.517 where: short stacking energy: -701.566 Base-Backbone interact. energy: -3.776 local terms energy: -760.809533 where: bonds (distance) C4'-P energy: -152.767 bonds (distance) P-C4' energy: -152.439 flat angles C4'-P-C4' energy: -162.980 flat angles P-C4'-P energy: -106.879 tors. eta vs tors. theta energy: -185.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -2251.126108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.126108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.126108 (E_RNA) where: Base-Base interactions energy: -1534.347 where: short stacking energy: -671.776 Base-Backbone interact. energy: -4.631 local terms energy: -712.147779 where: bonds (distance) C4'-P energy: -118.541 bonds (distance) P-C4' energy: -165.962 flat angles C4'-P-C4' energy: -161.715 flat angles P-C4'-P energy: -115.852 tors. eta vs tors. theta energy: -150.077 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: 9 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -2153.550137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.550137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.550137 (E_RNA) where: Base-Base interactions energy: -1462.550 where: short stacking energy: -621.511 Base-Backbone interact. energy: -2.841 local terms energy: -688.158690 where: bonds (distance) C4'-P energy: -130.529 bonds (distance) P-C4' energy: -136.580 flat angles C4'-P-C4' energy: -164.894 flat angles P-C4'-P energy: -104.928 tors. eta vs tors. theta energy: -151.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1649.066031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.066031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.066031 (E_RNA) where: Base-Base interactions energy: -1044.327 where: short stacking energy: -454.426 Base-Backbone interact. energy: -3.766 local terms energy: -600.973530 where: bonds (distance) C4'-P energy: -142.545 bonds (distance) P-C4' energy: -123.829 flat angles C4'-P-C4' energy: -141.492 flat angles P-C4'-P energy: -83.409 tors. eta vs tors. theta energy: -109.699 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: 2 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1212.549579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.549579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.549579 (E_RNA) where: Base-Base interactions energy: -687.540 where: short stacking energy: -333.351 Base-Backbone interact. energy: -1.125 local terms energy: -523.884329 where: bonds (distance) C4'-P energy: -146.511 bonds (distance) P-C4' energy: -157.114 flat angles C4'-P-C4' energy: -126.482 flat angles P-C4'-P energy: -80.682 tors. eta vs tors. theta energy: -13.095 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: 10 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -626.415136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.415136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.415136 (E_RNA) where: Base-Base interactions energy: -215.401 where: short stacking energy: -189.392 Base-Backbone interact. energy: -1.021 local terms energy: -409.993405 where: bonds (distance) C4'-P energy: -152.211 bonds (distance) P-C4' energy: -134.337 flat angles C4'-P-C4' energy: -90.268 flat angles P-C4'-P energy: -66.685 tors. eta vs tors. theta energy: 33.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -3050.002646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.002646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.002646 (E_RNA) where: Base-Base interactions energy: -2154.981 where: short stacking energy: -864.826 Base-Backbone interact. energy: -5.688 local terms energy: -889.333631 where: bonds (distance) C4'-P energy: -160.725 bonds (distance) P-C4' energy: -183.632 flat angles C4'-P-C4' energy: -181.338 flat angles P-C4'-P energy: -129.362 tors. eta vs tors. theta energy: -234.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2842.142883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.142883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.142883 (E_RNA) where: Base-Base interactions energy: -1998.528 where: short stacking energy: -799.160 Base-Backbone interact. energy: -2.154 local terms energy: -841.461047 where: bonds (distance) C4'-P energy: -154.188 bonds (distance) P-C4' energy: -149.793 flat angles C4'-P-C4' energy: -190.590 flat angles P-C4'-P energy: -119.143 tors. eta vs tors. theta energy: -227.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2734.860413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.860413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.860413 (E_RNA) where: Base-Base interactions energy: -1925.297 where: short stacking energy: -778.705 Base-Backbone interact. energy: -3.995 local terms energy: -805.567879 where: bonds (distance) C4'-P energy: -157.526 bonds (distance) P-C4' energy: -161.338 flat angles C4'-P-C4' energy: -174.097 flat angles P-C4'-P energy: -110.482 tors. eta vs tors. theta energy: -202.125 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: 7 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2593.107810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.107810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.107810 (E_RNA) where: Base-Base interactions energy: -1796.661 where: short stacking energy: -733.345 Base-Backbone interact. energy: -4.109 local terms energy: -792.337632 where: bonds (distance) C4'-P energy: -135.062 bonds (distance) P-C4' energy: -156.296 flat angles C4'-P-C4' energy: -169.291 flat angles P-C4'-P energy: -130.435 tors. eta vs tors. theta energy: -201.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2405.946419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.946419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.946419 (E_RNA) where: Base-Base interactions energy: -1664.500 where: short stacking energy: -666.479 Base-Backbone interact. energy: -0.317 local terms energy: -741.608696 where: bonds (distance) C4'-P energy: -164.940 bonds (distance) P-C4' energy: -142.168 flat angles C4'-P-C4' energy: -174.101 flat angles P-C4'-P energy: -91.055 tors. eta vs tors. theta energy: -169.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.480 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -2207.841660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.841660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.841660 (E_RNA) where: Base-Base interactions energy: -1494.325 where: short stacking energy: -647.682 Base-Backbone interact. energy: -2.517 local terms energy: -710.999704 where: bonds (distance) C4'-P energy: -140.461 bonds (distance) P-C4' energy: -157.804 flat angles C4'-P-C4' energy: -163.858 flat angles P-C4'-P energy: -81.019 tors. eta vs tors. theta energy: -167.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -2119.556252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.556252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.556252 (E_RNA) where: Base-Base interactions energy: -1456.752 where: short stacking energy: -616.808 Base-Backbone interact. energy: -0.623 local terms energy: -662.181737 where: bonds (distance) C4'-P energy: -100.464 bonds (distance) P-C4' energy: -145.578 flat angles C4'-P-C4' energy: -153.076 flat angles P-C4'-P energy: -106.306 tors. eta vs tors. theta energy: -156.759 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: 6 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1693.247005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.247005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.247005 (E_RNA) where: Base-Base interactions energy: -1094.710 where: short stacking energy: -467.236 Base-Backbone interact. energy: 3.300 local terms energy: -601.837610 where: bonds (distance) C4'-P energy: -132.364 bonds (distance) P-C4' energy: -133.131 flat angles C4'-P-C4' energy: -128.029 flat angles P-C4'-P energy: -106.790 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: 9, replica: 2 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1195.481516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.481516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.481516 (E_RNA) where: Base-Base interactions energy: -671.436 where: short stacking energy: -335.406 Base-Backbone interact. energy: 1.094 local terms energy: -525.139960 where: bonds (distance) C4'-P energy: -132.763 bonds (distance) P-C4' energy: -158.095 flat angles C4'-P-C4' energy: -122.560 flat angles P-C4'-P energy: -77.444 tors. eta vs tors. theta energy: -34.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -642.354376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.354376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.354376 (E_RNA) where: Base-Base interactions energy: -220.486 where: short stacking energy: -198.468 Base-Backbone interact. energy: -2.508 local terms energy: -419.359665 where: bonds (distance) C4'-P energy: -133.908 bonds (distance) P-C4' energy: -150.486 flat angles C4'-P-C4' energy: -90.228 flat angles P-C4'-P energy: -57.687 tors. eta vs tors. theta energy: 12.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -3064.602727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.602727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.602727 (E_RNA) where: Base-Base interactions energy: -2168.747 where: short stacking energy: -846.805 Base-Backbone interact. energy: -5.124 local terms energy: -890.731718 where: bonds (distance) C4'-P energy: -160.048 bonds (distance) P-C4' energy: -186.976 flat angles C4'-P-C4' energy: -177.322 flat angles P-C4'-P energy: -131.267 tors. eta vs tors. theta energy: -235.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2833.303597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.303597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.303597 (E_RNA) where: Base-Base interactions energy: -1987.509 where: short stacking energy: -782.700 Base-Backbone interact. energy: -8.640 local terms energy: -837.154513 where: bonds (distance) C4'-P energy: -150.624 bonds (distance) P-C4' energy: -166.543 flat angles C4'-P-C4' energy: -176.548 flat angles P-C4'-P energy: -125.103 tors. eta vs tors. theta energy: -218.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2725.294150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.294150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.294150 (E_RNA) where: Base-Base interactions energy: -1880.822 where: short stacking energy: -751.429 Base-Backbone interact. energy: -2.222 local terms energy: -842.250003 where: bonds (distance) C4'-P energy: -145.504 bonds (distance) P-C4' energy: -180.890 flat angles C4'-P-C4' energy: -170.269 flat angles P-C4'-P energy: -133.006 tors. eta vs tors. theta energy: -212.581 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: 7 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2558.975478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.975478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.975478 (E_RNA) where: Base-Base interactions energy: -1780.260 where: short stacking energy: -716.494 Base-Backbone interact. energy: 0.245 local terms energy: -778.960345 where: bonds (distance) C4'-P energy: -133.637 bonds (distance) P-C4' energy: -157.455 flat angles C4'-P-C4' energy: -165.047 flat angles P-C4'-P energy: -113.394 tors. eta vs tors. theta energy: -209.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2489.998426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.998426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.998426 (E_RNA) where: Base-Base interactions energy: -1703.803 where: short stacking energy: -731.249 Base-Backbone interact. energy: -5.568 local terms energy: -780.626771 where: bonds (distance) C4'-P energy: -143.676 bonds (distance) P-C4' energy: -145.672 flat angles C4'-P-C4' energy: -174.343 flat angles P-C4'-P energy: -121.755 tors. eta vs tors. theta energy: -195.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -2234.963761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.963761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.963761 (E_RNA) where: Base-Base interactions energy: -1527.986 where: short stacking energy: -635.698 Base-Backbone interact. energy: 0.205 local terms energy: -707.182688 where: bonds (distance) C4'-P energy: -147.802 bonds (distance) P-C4' energy: -161.804 flat angles C4'-P-C4' energy: -149.820 flat angles P-C4'-P energy: -92.195 tors. eta vs tors. theta energy: -155.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -2087.426076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.426076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.426076 (E_RNA) where: Base-Base interactions energy: -1416.386 where: short stacking energy: -620.104 Base-Backbone interact. energy: -0.092 local terms energy: -670.947779 where: bonds (distance) C4'-P energy: -128.423 bonds (distance) P-C4' energy: -156.148 flat angles C4'-P-C4' energy: -150.067 flat angles P-C4'-P energy: -86.007 tors. eta vs tors. theta energy: -150.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1691.700286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.700286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.700286 (E_RNA) where: Base-Base interactions energy: -1056.846 where: short stacking energy: -472.692 Base-Backbone interact. energy: 0.493 local terms energy: -635.348099 where: bonds (distance) C4'-P energy: -144.111 bonds (distance) P-C4' energy: -144.464 flat angles C4'-P-C4' energy: -146.756 flat angles P-C4'-P energy: -95.492 tors. eta vs tors. theta energy: -104.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1172.259005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.259005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.259005 (E_RNA) where: Base-Base interactions energy: -665.534 where: short stacking energy: -317.290 Base-Backbone interact. energy: -3.870 local terms energy: -502.855414 where: bonds (distance) C4'-P energy: -128.105 bonds (distance) P-C4' energy: -145.381 flat angles C4'-P-C4' energy: -134.525 flat angles P-C4'-P energy: -75.716 tors. eta vs tors. theta energy: -19.128 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: 10 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -642.604286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.604286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.604286 (E_RNA) where: Base-Base interactions energy: -275.940 where: short stacking energy: -196.162 Base-Backbone interact. energy: 7.311 local terms energy: -373.975585 where: bonds (distance) C4'-P energy: -108.176 bonds (distance) P-C4' energy: -134.076 flat angles C4'-P-C4' energy: -119.020 flat angles P-C4'-P energy: -54.671 tors. eta vs tors. theta energy: 41.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -3068.632156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.632156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.632156 (E_RNA) where: Base-Base interactions energy: -2171.246 where: short stacking energy: -858.401 Base-Backbone interact. energy: -4.067 local terms energy: -893.318968 where: bonds (distance) C4'-P energy: -158.621 bonds (distance) P-C4' energy: -168.257 flat angles C4'-P-C4' energy: -185.692 flat angles P-C4'-P energy: -138.372 tors. eta vs tors. theta energy: -242.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2861.306338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.306338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.306338 (E_RNA) where: Base-Base interactions energy: -2010.742 where: short stacking energy: -800.744 Base-Backbone interact. energy: -2.360 local terms energy: -848.205001 where: bonds (distance) C4'-P energy: -155.663 bonds (distance) P-C4' energy: -159.338 flat angles C4'-P-C4' energy: -179.569 flat angles P-C4'-P energy: -115.610 tors. eta vs tors. theta energy: -238.025 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: 1 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2729.220976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.220976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.220976 (E_RNA) where: Base-Base interactions energy: -1913.055 where: short stacking energy: -770.851 Base-Backbone interact. energy: -3.969 local terms energy: -812.197619 where: bonds (distance) C4'-P energy: -162.003 bonds (distance) P-C4' energy: -161.952 flat angles C4'-P-C4' energy: -158.371 flat angles P-C4'-P energy: -115.843 tors. eta vs tors. theta energy: -214.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2577.033184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.033184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.033184 (E_RNA) where: Base-Base interactions energy: -1805.229 where: short stacking energy: -753.024 Base-Backbone interact. energy: -0.098 local terms energy: -771.706015 where: bonds (distance) C4'-P energy: -145.286 bonds (distance) P-C4' energy: -160.432 flat angles C4'-P-C4' energy: -155.525 flat angles P-C4'-P energy: -108.593 tors. eta vs tors. theta energy: -201.870 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: 8 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2413.207398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.207398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.207398 (E_RNA) where: Base-Base interactions energy: -1668.275 where: short stacking energy: -714.547 Base-Backbone interact. energy: -1.326 local terms energy: -743.807714 where: bonds (distance) C4'-P energy: -141.244 bonds (distance) P-C4' energy: -147.040 flat angles C4'-P-C4' energy: -165.376 flat angles P-C4'-P energy: -111.074 tors. eta vs tors. theta energy: -179.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.202 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -2251.136161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.136161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.136161 (E_RNA) where: Base-Base interactions energy: -1532.428 where: short stacking energy: -668.123 Base-Backbone interact. energy: 0.170 local terms energy: -718.879038 where: bonds (distance) C4'-P energy: -137.452 bonds (distance) P-C4' energy: -159.821 flat angles C4'-P-C4' energy: -158.433 flat angles P-C4'-P energy: -108.214 tors. eta vs tors. theta energy: -154.958 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: 9 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -2166.556211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.556211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.556211 (E_RNA) where: Base-Base interactions energy: -1477.257 where: short stacking energy: -626.396 Base-Backbone interact. energy: -3.449 local terms energy: -685.850434 where: bonds (distance) C4'-P energy: -136.460 bonds (distance) P-C4' energy: -162.195 flat angles C4'-P-C4' energy: -155.801 flat angles P-C4'-P energy: -87.375 tors. eta vs tors. theta energy: -144.020 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: 455 Temperature: 1.250000 Total energy: -1638.822808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.822808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.822808 (E_RNA) where: Base-Base interactions energy: -1049.581 where: short stacking energy: -453.581 Base-Backbone interact. energy: -0.225 local terms energy: -589.016700 where: bonds (distance) C4'-P energy: -137.430 bonds (distance) P-C4' energy: -132.865 flat angles C4'-P-C4' energy: -146.918 flat angles P-C4'-P energy: -68.609 tors. eta vs tors. theta energy: -103.195 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: 2 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1169.320585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.320585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.320585 (E_RNA) where: Base-Base interactions energy: -665.675 where: short stacking energy: -340.969 Base-Backbone interact. energy: -0.479 local terms energy: -503.166857 where: bonds (distance) C4'-P energy: -122.595 bonds (distance) P-C4' energy: -129.553 flat angles C4'-P-C4' energy: -127.021 flat angles P-C4'-P energy: -93.373 tors. eta vs tors. theta energy: -30.625 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: 10 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -613.315821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.315821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.315821 (E_RNA) where: Base-Base interactions energy: -244.744 where: short stacking energy: -194.724 Base-Backbone interact. energy: 2.557 local terms energy: -371.128370 where: bonds (distance) C4'-P energy: -87.920 bonds (distance) P-C4' energy: -135.477 flat angles C4'-P-C4' energy: -115.933 flat angles P-C4'-P energy: -67.865 tors. eta vs tors. theta energy: 36.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -3083.809648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.809648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.809648 (E_RNA) where: Base-Base interactions energy: -2156.618 where: short stacking energy: -867.923 Base-Backbone interact. energy: -5.777 local terms energy: -921.413795 where: bonds (distance) C4'-P energy: -165.337 bonds (distance) P-C4' energy: -184.351 flat angles C4'-P-C4' energy: -189.956 flat angles P-C4'-P energy: -133.015 tors. eta vs tors. theta energy: -248.755 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: 456 Temperature: 0.950000 Total energy: -2865.442447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.442447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.442447 (E_RNA) where: Base-Base interactions energy: -2008.878 where: short stacking energy: -808.805 Base-Backbone interact. energy: 0.968 local terms energy: -857.532141 where: bonds (distance) C4'-P energy: -159.875 bonds (distance) P-C4' energy: -147.848 flat angles C4'-P-C4' energy: -186.689 flat angles P-C4'-P energy: -133.852 tors. eta vs tors. theta energy: -229.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2731.080717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.080717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.080717 (E_RNA) where: Base-Base interactions energy: -1896.611 where: short stacking energy: -792.406 Base-Backbone interact. energy: -5.313 local terms energy: -829.157239 where: bonds (distance) C4'-P energy: -163.102 bonds (distance) P-C4' energy: -158.019 flat angles C4'-P-C4' energy: -182.782 flat angles P-C4'-P energy: -114.095 tors. eta vs tors. theta energy: -211.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2588.071905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.071905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.071905 (E_RNA) where: Base-Base interactions energy: -1812.318 where: short stacking energy: -773.052 Base-Backbone interact. energy: 1.705 local terms energy: -777.459578 where: bonds (distance) C4'-P energy: -129.413 bonds (distance) P-C4' energy: -152.613 flat angles C4'-P-C4' energy: -178.235 flat angles P-C4'-P energy: -101.888 tors. eta vs tors. theta energy: -215.311 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: 8 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2445.389296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.389296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.389296 (E_RNA) where: Base-Base interactions energy: -1709.016 where: short stacking energy: -728.678 Base-Backbone interact. energy: -0.252 local terms energy: -736.121095 where: bonds (distance) C4'-P energy: -135.104 bonds (distance) P-C4' energy: -159.874 flat angles C4'-P-C4' energy: -159.193 flat angles P-C4'-P energy: -101.018 tors. eta vs tors. theta energy: -180.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -2287.061971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.061971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.061971 (E_RNA) where: Base-Base interactions energy: -1553.535 where: short stacking energy: -657.972 Base-Backbone interact. energy: -2.726 local terms energy: -730.801341 where: bonds (distance) C4'-P energy: -129.678 bonds (distance) P-C4' energy: -138.530 flat angles C4'-P-C4' energy: -161.798 flat angles P-C4'-P energy: -115.633 tors. eta vs tors. theta energy: -185.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -2106.769667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.769667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.769667 (E_RNA) where: Base-Base interactions energy: -1456.551 where: short stacking energy: -623.913 Base-Backbone interact. energy: 0.130 local terms energy: -650.349493 where: bonds (distance) C4'-P energy: -137.721 bonds (distance) P-C4' energy: -137.778 flat angles C4'-P-C4' energy: -141.972 flat angles P-C4'-P energy: -92.242 tors. eta vs tors. theta energy: -140.637 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: 6 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1700.844107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.844107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.844107 (E_RNA) where: Base-Base interactions energy: -1079.255 where: short stacking energy: -463.583 Base-Backbone interact. energy: -1.804 local terms energy: -619.785720 where: bonds (distance) C4'-P energy: -131.283 bonds (distance) P-C4' energy: -159.564 flat angles C4'-P-C4' energy: -136.335 flat angles P-C4'-P energy: -86.182 tors. eta vs tors. theta energy: -106.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1155.189373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.189373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.189373 (E_RNA) where: Base-Base interactions energy: -640.635 where: short stacking energy: -325.693 Base-Backbone interact. energy: 2.370 local terms energy: -516.924020 where: bonds (distance) C4'-P energy: -122.535 bonds (distance) P-C4' energy: -148.659 flat angles C4'-P-C4' energy: -141.005 flat angles P-C4'-P energy: -85.628 tors. eta vs tors. theta energy: -19.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -636.842058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.842058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.842058 (E_RNA) where: Base-Base interactions energy: -234.442 where: short stacking energy: -189.579 Base-Backbone interact. energy: 0.660 local terms energy: -403.059562 where: bonds (distance) C4'-P energy: -109.471 bonds (distance) P-C4' energy: -147.504 flat angles C4'-P-C4' energy: -122.427 flat angles P-C4'-P energy: -53.165 tors. eta vs tors. theta energy: 29.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -3094.810388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.810388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.810388 (E_RNA) where: Base-Base interactions energy: -2194.785 where: short stacking energy: -871.493 Base-Backbone interact. energy: -5.564 local terms energy: -894.461314 where: bonds (distance) C4'-P energy: -157.814 bonds (distance) P-C4' energy: -180.488 flat angles C4'-P-C4' energy: -190.157 flat angles P-C4'-P energy: -125.072 tors. eta vs tors. theta energy: -240.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2856.777465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.777465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.777465 (E_RNA) where: Base-Base interactions energy: -2005.456 where: short stacking energy: -817.280 Base-Backbone interact. energy: -8.230 local terms energy: -843.090642 where: bonds (distance) C4'-P energy: -151.255 bonds (distance) P-C4' energy: -153.716 flat angles C4'-P-C4' energy: -187.839 flat angles P-C4'-P energy: -125.492 tors. eta vs tors. theta energy: -224.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2750.160065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.160065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.160065 (E_RNA) where: Base-Base interactions energy: -1947.766 where: short stacking energy: -794.187 Base-Backbone interact. energy: -6.303 local terms energy: -796.090866 where: bonds (distance) C4'-P energy: -141.938 bonds (distance) P-C4' energy: -151.127 flat angles C4'-P-C4' energy: -177.442 flat angles P-C4'-P energy: -111.066 tors. eta vs tors. theta energy: -214.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2611.002701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.002701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.002701 (E_RNA) where: Base-Base interactions energy: -1833.971 where: short stacking energy: -769.807 Base-Backbone interact. energy: -4.937 local terms energy: -772.095466 where: bonds (distance) C4'-P energy: -147.912 bonds (distance) P-C4' energy: -148.325 flat angles C4'-P-C4' energy: -156.028 flat angles P-C4'-P energy: -108.865 tors. eta vs tors. theta energy: -210.966 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: 8 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2428.304846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.304846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.304846 (E_RNA) where: Base-Base interactions energy: -1678.575 where: short stacking energy: -694.028 Base-Backbone interact. energy: 1.163 local terms energy: -750.893071 where: bonds (distance) C4'-P energy: -151.793 bonds (distance) P-C4' energy: -165.401 flat angles C4'-P-C4' energy: -158.128 flat angles P-C4'-P energy: -109.362 tors. eta vs tors. theta energy: -166.210 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: 6, replica: 9 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -2231.094010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.094010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.094010 (E_RNA) where: Base-Base interactions energy: -1568.530 where: short stacking energy: -674.776 Base-Backbone interact. energy: -3.767 local terms energy: -658.797015 where: bonds (distance) C4'-P energy: -107.169 bonds (distance) P-C4' energy: -149.219 flat angles C4'-P-C4' energy: -154.591 flat angles P-C4'-P energy: -77.209 tors. eta vs tors. theta energy: -170.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -2192.045921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.045921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.045921 (E_RNA) where: Base-Base interactions energy: -1475.524 where: short stacking energy: -615.304 Base-Backbone interact. energy: -1.995 local terms energy: -714.526848 where: bonds (distance) C4'-P energy: -140.643 bonds (distance) P-C4' energy: -148.505 flat angles C4'-P-C4' energy: -153.789 flat angles P-C4'-P energy: -115.319 tors. eta vs tors. theta energy: -156.271 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: 6 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1734.458743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.458743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.458743 (E_RNA) where: Base-Base interactions energy: -1102.271 where: short stacking energy: -455.020 Base-Backbone interact. energy: 4.004 local terms energy: -636.192157 where: bonds (distance) C4'-P energy: -150.500 bonds (distance) P-C4' energy: -141.402 flat angles C4'-P-C4' energy: -146.831 flat angles P-C4'-P energy: -105.048 tors. eta vs tors. theta energy: -92.413 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: 2 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1151.720636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.720636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.720636 (E_RNA) where: Base-Base interactions energy: -633.910 where: short stacking energy: -318.997 Base-Backbone interact. energy: 2.719 local terms energy: -520.529449 where: bonds (distance) C4'-P energy: -114.339 bonds (distance) P-C4' energy: -145.716 flat angles C4'-P-C4' energy: -146.611 flat angles P-C4'-P energy: -82.025 tors. eta vs tors. theta energy: -31.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -610.874353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.874353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.874353 (E_RNA) where: Base-Base interactions energy: -227.899 where: short stacking energy: -162.883 Base-Backbone interact. energy: -0.441 local terms energy: -382.533877 where: bonds (distance) C4'-P energy: -123.596 bonds (distance) P-C4' energy: -143.741 flat angles C4'-P-C4' energy: -85.639 flat angles P-C4'-P energy: -68.790 tors. eta vs tors. theta energy: 39.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -3081.876387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.876387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.876387 (E_RNA) where: Base-Base interactions energy: -2193.017 where: short stacking energy: -860.550 Base-Backbone interact. energy: -6.165 local terms energy: -882.694029 where: bonds (distance) C4'-P energy: -160.213 bonds (distance) P-C4' energy: -165.278 flat angles C4'-P-C4' energy: -189.708 flat angles P-C4'-P energy: -128.401 tors. eta vs tors. theta energy: -239.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2893.790160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.790160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.790160 (E_RNA) where: Base-Base interactions energy: -2033.810 where: short stacking energy: -821.097 Base-Backbone interact. energy: -4.710 local terms energy: -855.270623 where: bonds (distance) C4'-P energy: -161.708 bonds (distance) P-C4' energy: -161.026 flat angles C4'-P-C4' energy: -179.940 flat angles P-C4'-P energy: -123.346 tors. eta vs tors. theta energy: -229.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2692.920906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.920906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.920906 (E_RNA) where: Base-Base interactions energy: -1869.946 where: short stacking energy: -774.668 Base-Backbone interact. energy: -6.050 local terms energy: -816.924477 where: bonds (distance) C4'-P energy: -150.064 bonds (distance) P-C4' energy: -169.444 flat angles C4'-P-C4' energy: -174.198 flat angles P-C4'-P energy: -114.260 tors. eta vs tors. theta energy: -208.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2641.955865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.955865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.955865 (E_RNA) where: Base-Base interactions energy: -1848.061 where: short stacking energy: -742.708 Base-Backbone interact. energy: -5.888 local terms energy: -788.007092 where: bonds (distance) C4'-P energy: -152.536 bonds (distance) P-C4' energy: -155.440 flat angles C4'-P-C4' energy: -176.636 flat angles P-C4'-P energy: -101.514 tors. eta vs tors. theta energy: -201.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2367.170226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.170226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.170226 (E_RNA) where: Base-Base interactions energy: -1607.329 where: short stacking energy: -695.532 Base-Backbone interact. energy: 1.003 local terms energy: -760.843610 where: bonds (distance) C4'-P energy: -129.624 bonds (distance) P-C4' energy: -158.300 flat angles C4'-P-C4' energy: -180.713 flat angles P-C4'-P energy: -108.854 tors. eta vs tors. theta energy: -183.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -2197.244383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.244383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.244383 (E_RNA) where: Base-Base interactions energy: -1528.135 where: short stacking energy: -625.056 Base-Backbone interact. energy: 0.881 local terms energy: -669.991264 where: bonds (distance) C4'-P energy: -136.446 bonds (distance) P-C4' energy: -149.069 flat angles C4'-P-C4' energy: -147.155 flat angles P-C4'-P energy: -88.272 tors. eta vs tors. theta energy: -149.050 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: 458 Temperature: 1.200000 Total energy: -2184.660484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.660484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.660484 (E_RNA) where: Base-Base interactions energy: -1487.521 where: short stacking energy: -637.153 Base-Backbone interact. energy: -2.627 local terms energy: -694.511860 where: bonds (distance) C4'-P energy: -145.896 bonds (distance) P-C4' energy: -135.870 flat angles C4'-P-C4' energy: -160.302 flat angles P-C4'-P energy: -83.993 tors. eta vs tors. theta energy: -168.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1663.791150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.791150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.791150 (E_RNA) where: Base-Base interactions energy: -1058.037 where: short stacking energy: -479.415 Base-Backbone interact. energy: -0.212 local terms energy: -605.542324 where: bonds (distance) C4'-P energy: -109.877 bonds (distance) P-C4' energy: -157.964 flat angles C4'-P-C4' energy: -134.884 flat angles P-C4'-P energy: -99.062 tors. eta vs tors. theta energy: -103.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1181.765436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.765436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.765436 (E_RNA) where: Base-Base interactions energy: -655.961 where: short stacking energy: -332.288 Base-Backbone interact. energy: 0.891 local terms energy: -526.696151 where: bonds (distance) C4'-P energy: -149.590 bonds (distance) P-C4' energy: -135.904 flat angles C4'-P-C4' energy: -136.770 flat angles P-C4'-P energy: -71.789 tors. eta vs tors. theta energy: -32.642 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: 10, replica: 10 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -639.775882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.775882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.775882 (E_RNA) where: Base-Base interactions energy: -222.346 where: short stacking energy: -212.743 Base-Backbone interact. energy: 0.821 local terms energy: -418.250705 where: bonds (distance) C4'-P energy: -112.924 bonds (distance) P-C4' energy: -151.722 flat angles C4'-P-C4' energy: -113.999 flat angles P-C4'-P energy: -40.377 tors. eta vs tors. theta energy: 0.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -3085.939601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.939601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.939601 (E_RNA) where: Base-Base interactions energy: -2173.594 where: short stacking energy: -867.609 Base-Backbone interact. energy: -4.248 local terms energy: -908.097120 where: bonds (distance) C4'-P energy: -173.273 bonds (distance) P-C4' energy: -166.482 flat angles C4'-P-C4' energy: -185.910 flat angles P-C4'-P energy: -140.733 tors. eta vs tors. theta energy: -241.698 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: 459 Temperature: 0.950000 Total energy: -2857.558987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.558987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.558987 (E_RNA) where: Base-Base interactions energy: -1989.808 where: short stacking energy: -805.810 Base-Backbone interact. energy: -4.398 local terms energy: -863.352841 where: bonds (distance) C4'-P energy: -154.737 bonds (distance) P-C4' energy: -159.947 flat angles C4'-P-C4' energy: -188.128 flat angles P-C4'-P energy: -136.151 tors. eta vs tors. theta energy: -224.389 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: 7 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2665.660219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.660219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.660219 (E_RNA) where: Base-Base interactions energy: -1855.768 where: short stacking energy: -776.169 Base-Backbone interact. energy: -6.400 local terms energy: -803.491639 where: bonds (distance) C4'-P energy: -148.141 bonds (distance) P-C4' energy: -167.959 flat angles C4'-P-C4' energy: -162.168 flat angles P-C4'-P energy: -112.432 tors. eta vs tors. theta energy: -212.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2622.281150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.281150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.281150 (E_RNA) where: Base-Base interactions energy: -1815.873 where: short stacking energy: -769.890 Base-Backbone interact. energy: -7.983 local terms energy: -798.424805 where: bonds (distance) C4'-P energy: -146.973 bonds (distance) P-C4' energy: -150.091 flat angles C4'-P-C4' energy: -170.940 flat angles P-C4'-P energy: -122.440 tors. eta vs tors. theta energy: -207.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2466.089775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.089775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.089775 (E_RNA) where: Base-Base interactions energy: -1698.303 where: short stacking energy: -725.430 Base-Backbone interact. energy: 0.409 local terms energy: -768.195653 where: bonds (distance) C4'-P energy: -146.053 bonds (distance) P-C4' energy: -130.119 flat angles C4'-P-C4' energy: -169.836 flat angles P-C4'-P energy: -131.048 tors. eta vs tors. theta energy: -191.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -2236.814814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.814814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.814814 (E_RNA) where: Base-Base interactions energy: -1521.277 where: short stacking energy: -630.040 Base-Backbone interact. energy: -4.276 local terms energy: -711.261704 where: bonds (distance) C4'-P energy: -128.339 bonds (distance) P-C4' energy: -160.924 flat angles C4'-P-C4' energy: -171.434 flat angles P-C4'-P energy: -90.919 tors. eta vs tors. theta energy: -159.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -2127.008527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.008527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.008527 (E_RNA) where: Base-Base interactions energy: -1457.767 where: short stacking energy: -602.985 Base-Backbone interact. energy: 0.724 local terms energy: -669.965102 where: bonds (distance) C4'-P energy: -133.482 bonds (distance) P-C4' energy: -150.152 flat angles C4'-P-C4' energy: -150.832 flat angles P-C4'-P energy: -85.671 tors. eta vs tors. theta energy: -149.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1696.982067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.982067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.982067 (E_RNA) where: Base-Base interactions energy: -1126.699 where: short stacking energy: -488.197 Base-Backbone interact. energy: -2.340 local terms energy: -567.942475 where: bonds (distance) C4'-P energy: -116.863 bonds (distance) P-C4' energy: -135.231 flat angles C4'-P-C4' energy: -126.217 flat angles P-C4'-P energy: -86.735 tors. eta vs tors. theta energy: -102.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1144.644296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.644296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.644296 (E_RNA) where: Base-Base interactions energy: -640.925 where: short stacking energy: -327.224 Base-Backbone interact. energy: 0.395 local terms energy: -504.115150 where: bonds (distance) C4'-P energy: -134.347 bonds (distance) P-C4' energy: -131.494 flat angles C4'-P-C4' energy: -123.399 flat angles P-C4'-P energy: -73.345 tors. eta vs tors. theta energy: -41.530 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: 10, replica: 10 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -665.206056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.206056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.206056 (E_RNA) where: Base-Base interactions energy: -249.071 where: short stacking energy: -201.278 Base-Backbone interact. energy: 1.391 local terms energy: -417.525977 where: bonds (distance) C4'-P energy: -103.776 bonds (distance) P-C4' energy: -140.985 flat angles C4'-P-C4' energy: -130.637 flat angles P-C4'-P energy: -73.560 tors. eta vs tors. theta energy: 31.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -3078.909607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.909607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.909607 (E_RNA) where: Base-Base interactions energy: -2196.740 where: short stacking energy: -881.804 Base-Backbone interact. energy: -4.044 local terms energy: -878.126095 where: bonds (distance) C4'-P energy: -160.707 bonds (distance) P-C4' energy: -166.781 flat angles C4'-P-C4' energy: -187.171 flat angles P-C4'-P energy: -122.758 tors. eta vs tors. theta energy: -240.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2847.934068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.934068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.934068 (E_RNA) where: Base-Base interactions energy: -1988.145 where: short stacking energy: -809.810 Base-Backbone interact. energy: 4.437 local terms energy: -864.226511 where: bonds (distance) C4'-P energy: -151.842 bonds (distance) P-C4' energy: -174.270 flat angles C4'-P-C4' energy: -175.419 flat angles P-C4'-P energy: -123.274 tors. eta vs tors. theta energy: -239.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2668.247413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.247413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.247413 (E_RNA) where: Base-Base interactions energy: -1864.294 where: short stacking energy: -761.224 Base-Backbone interact. energy: -4.742 local terms energy: -799.211539 where: bonds (distance) C4'-P energy: -135.842 bonds (distance) P-C4' energy: -170.502 flat angles C4'-P-C4' energy: -166.956 flat angles P-C4'-P energy: -115.399 tors. eta vs tors. theta energy: -210.513 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: 4, replica: 1 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2602.482048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.482048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.482048 (E_RNA) where: Base-Base interactions energy: -1802.366 where: short stacking energy: -754.509 Base-Backbone interact. energy: -0.040 local terms energy: -800.075891 where: bonds (distance) C4'-P energy: -139.669 bonds (distance) P-C4' energy: -164.473 flat angles C4'-P-C4' energy: -186.634 flat angles P-C4'-P energy: -114.264 tors. eta vs tors. theta energy: -195.035 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: 5, replica: 8 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2435.089782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.089782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.089782 (E_RNA) where: Base-Base interactions energy: -1669.662 where: short stacking energy: -714.013 Base-Backbone interact. energy: 1.416 local terms energy: -766.843427 where: bonds (distance) C4'-P energy: -118.086 bonds (distance) P-C4' energy: -168.270 flat angles C4'-P-C4' energy: -171.661 flat angles P-C4'-P energy: -110.434 tors. eta vs tors. theta energy: -198.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -2241.378272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.378272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.378272 (E_RNA) where: Base-Base interactions energy: -1522.072 where: short stacking energy: -641.972 Base-Backbone interact. energy: 0.054 local terms energy: -719.360136 where: bonds (distance) C4'-P energy: -148.974 bonds (distance) P-C4' energy: -144.425 flat angles C4'-P-C4' energy: -158.849 flat angles P-C4'-P energy: -102.437 tors. eta vs tors. theta energy: -164.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -2102.159484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.159484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.159484 (E_RNA) where: Base-Base interactions energy: -1411.919 where: short stacking energy: -613.339 Base-Backbone interact. energy: -1.297 local terms energy: -688.943318 where: bonds (distance) C4'-P energy: -133.529 bonds (distance) P-C4' energy: -147.148 flat angles C4'-P-C4' energy: -142.851 flat angles P-C4'-P energy: -103.287 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: 8, replica: 6 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1819.524287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.524287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.524287 (E_RNA) where: Base-Base interactions energy: -1203.802 where: short stacking energy: -492.965 Base-Backbone interact. energy: -0.257 local terms energy: -615.466121 where: bonds (distance) C4'-P energy: -126.944 bonds (distance) P-C4' energy: -132.924 flat angles C4'-P-C4' energy: -142.397 flat angles P-C4'-P energy: -100.563 tors. eta vs tors. theta energy: -112.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1099.994147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.994147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.994147 (E_RNA) where: Base-Base interactions energy: -580.305 where: short stacking energy: -284.050 Base-Backbone interact. energy: -1.129 local terms energy: -518.561022 where: bonds (distance) C4'-P energy: -136.010 bonds (distance) P-C4' energy: -147.577 flat angles C4'-P-C4' energy: -131.779 flat angles P-C4'-P energy: -76.351 tors. eta vs tors. theta energy: -26.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -591.850688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.850688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.850688 (E_RNA) where: Base-Base interactions energy: -203.629 where: short stacking energy: -171.626 Base-Backbone interact. energy: 1.954 local terms energy: -390.175532 where: bonds (distance) C4'-P energy: -127.449 bonds (distance) P-C4' energy: -136.528 flat angles C4'-P-C4' energy: -109.857 flat angles P-C4'-P energy: -57.187 tors. eta vs tors. theta energy: 40.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -3075.399587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.399587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.399587 (E_RNA) where: Base-Base interactions energy: -2214.235 where: short stacking energy: -866.640 Base-Backbone interact. energy: -4.991 local terms energy: -856.173805 where: bonds (distance) C4'-P energy: -159.039 bonds (distance) P-C4' energy: -158.933 flat angles C4'-P-C4' energy: -184.053 flat angles P-C4'-P energy: -119.168 tors. eta vs tors. theta energy: -234.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2866.968817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.968817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.968817 (E_RNA) where: Base-Base interactions energy: -2008.628 where: short stacking energy: -807.142 Base-Backbone interact. energy: -7.685 local terms energy: -850.655892 where: bonds (distance) C4'-P energy: -143.269 bonds (distance) P-C4' energy: -173.056 flat angles C4'-P-C4' energy: -187.198 flat angles P-C4'-P energy: -119.983 tors. eta vs tors. theta energy: -227.150 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: 7 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2677.386580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.386580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.386580 (E_RNA) where: Base-Base interactions energy: -1877.953 where: short stacking energy: -779.607 Base-Backbone interact. energy: -3.776 local terms energy: -795.657876 where: bonds (distance) C4'-P energy: -149.209 bonds (distance) P-C4' energy: -149.601 flat angles C4'-P-C4' energy: -175.659 flat angles P-C4'-P energy: -110.774 tors. eta vs tors. theta energy: -210.415 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: 461 Temperature: 1.050000 Total energy: -2606.100376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.100376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.100376 (E_RNA) where: Base-Base interactions energy: -1826.226 where: short stacking energy: -758.567 Base-Backbone interact. energy: -3.246 local terms energy: -776.628524 where: bonds (distance) C4'-P energy: -140.906 bonds (distance) P-C4' energy: -170.730 flat angles C4'-P-C4' energy: -156.376 flat angles P-C4'-P energy: -103.736 tors. eta vs tors. theta energy: -204.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2434.579558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.579558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.579558 (E_RNA) where: Base-Base interactions energy: -1668.117 where: short stacking energy: -699.597 Base-Backbone interact. energy: -3.702 local terms energy: -762.761437 where: bonds (distance) C4'-P energy: -140.931 bonds (distance) P-C4' energy: -166.039 flat angles C4'-P-C4' energy: -163.541 flat angles P-C4'-P energy: -110.220 tors. eta vs tors. theta energy: -182.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -2245.471275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.471275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.471275 (E_RNA) where: Base-Base interactions energy: -1548.314 where: short stacking energy: -644.242 Base-Backbone interact. energy: 1.308 local terms energy: -698.465255 where: bonds (distance) C4'-P energy: -130.105 bonds (distance) P-C4' energy: -159.502 flat angles C4'-P-C4' energy: -142.844 flat angles P-C4'-P energy: -109.702 tors. eta vs tors. theta energy: -156.313 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: 9 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -2099.443101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.443101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.443101 (E_RNA) where: Base-Base interactions energy: -1408.498 where: short stacking energy: -619.468 Base-Backbone interact. energy: -0.774 local terms energy: -690.171266 where: bonds (distance) C4'-P energy: -131.093 bonds (distance) P-C4' energy: -143.665 flat angles C4'-P-C4' energy: -146.650 flat angles P-C4'-P energy: -110.676 tors. eta vs tors. theta energy: -158.088 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: 461 Temperature: 1.250000 Total energy: -1903.612105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.612105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.612105 (E_RNA) where: Base-Base interactions energy: -1247.903 where: short stacking energy: -537.725 Base-Backbone interact. energy: -1.026 local terms energy: -654.682901 where: bonds (distance) C4'-P energy: -140.816 bonds (distance) P-C4' energy: -145.553 flat angles C4'-P-C4' energy: -141.115 flat angles P-C4'-P energy: -99.049 tors. eta vs tors. theta energy: -128.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1117.809206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.809206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.809206 (E_RNA) where: Base-Base interactions energy: -638.844 where: short stacking energy: -318.388 Base-Backbone interact. energy: 0.654 local terms energy: -479.619266 where: bonds (distance) C4'-P energy: -128.285 bonds (distance) P-C4' energy: -132.067 flat angles C4'-P-C4' energy: -123.590 flat angles P-C4'-P energy: -77.864 tors. eta vs tors. theta energy: -17.814 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: 10 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -607.773282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.773282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.773282 (E_RNA) where: Base-Base interactions energy: -210.684 where: short stacking energy: -195.872 Base-Backbone interact. energy: 10.570 local terms energy: -407.659373 where: bonds (distance) C4'-P energy: -90.196 bonds (distance) P-C4' energy: -160.573 flat angles C4'-P-C4' energy: -123.842 flat angles P-C4'-P energy: -64.629 tors. eta vs tors. theta energy: 31.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -3065.479634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.479634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.479634 (E_RNA) where: Base-Base interactions energy: -2181.276 where: short stacking energy: -858.604 Base-Backbone interact. energy: -5.525 local terms energy: -878.678506 where: bonds (distance) C4'-P energy: -160.675 bonds (distance) P-C4' energy: -156.098 flat angles C4'-P-C4' energy: -188.537 flat angles P-C4'-P energy: -132.608 tors. eta vs tors. theta energy: -240.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -2851.131892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.131892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.131892 (E_RNA) where: Base-Base interactions energy: -1976.771 where: short stacking energy: -804.295 Base-Backbone interact. energy: -7.359 local terms energy: -867.002449 where: bonds (distance) C4'-P energy: -163.439 bonds (distance) P-C4' energy: -164.819 flat angles C4'-P-C4' energy: -185.837 flat angles P-C4'-P energy: -121.213 tors. eta vs tors. theta energy: -231.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2685.333267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.333267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.333267 (E_RNA) where: Base-Base interactions energy: -1866.198 where: short stacking energy: -787.005 Base-Backbone interact. energy: -3.212 local terms energy: -815.922943 where: bonds (distance) C4'-P energy: -125.639 bonds (distance) P-C4' energy: -159.984 flat angles C4'-P-C4' energy: -191.501 flat angles P-C4'-P energy: -116.976 tors. eta vs tors. theta energy: -221.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2643.086966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.086966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.086966 (E_RNA) where: Base-Base interactions energy: -1857.142 where: short stacking energy: -770.483 Base-Backbone interact. energy: -0.681 local terms energy: -785.263907 where: bonds (distance) C4'-P energy: -146.540 bonds (distance) P-C4' energy: -159.914 flat angles C4'-P-C4' energy: -156.451 flat angles P-C4'-P energy: -114.516 tors. eta vs tors. theta energy: -207.844 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: 5, replica: 8 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2469.689189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.689189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.689189 (E_RNA) where: Base-Base interactions energy: -1713.209 where: short stacking energy: -748.027 Base-Backbone interact. energy: -3.290 local terms energy: -753.189562 where: bonds (distance) C4'-P energy: -123.714 bonds (distance) P-C4' energy: -140.645 flat angles C4'-P-C4' energy: -169.090 flat angles P-C4'-P energy: -116.652 tors. eta vs tors. theta energy: -203.088 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: 6, replica: 4 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -2161.808599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.808599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.808599 (E_RNA) where: Base-Base interactions energy: -1488.836 where: short stacking energy: -613.402 Base-Backbone interact. energy: -3.062 local terms energy: -669.910500 where: bonds (distance) C4'-P energy: -119.658 bonds (distance) P-C4' energy: -147.652 flat angles C4'-P-C4' energy: -161.275 flat angles P-C4'-P energy: -97.679 tors. eta vs tors. theta energy: -143.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -2113.067308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.067308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.067308 (E_RNA) where: Base-Base interactions energy: -1450.256 where: short stacking energy: -635.746 Base-Backbone interact. energy: -1.345 local terms energy: -661.466414 where: bonds (distance) C4'-P energy: -125.227 bonds (distance) P-C4' energy: -138.185 flat angles C4'-P-C4' energy: -146.348 flat angles P-C4'-P energy: -90.885 tors. eta vs tors. theta energy: -160.821 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: 6 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1815.500900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.500900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.500900 (E_RNA) where: Base-Base interactions energy: -1174.218 where: short stacking energy: -531.938 Base-Backbone interact. energy: 1.275 local terms energy: -642.557702 where: bonds (distance) C4'-P energy: -136.435 bonds (distance) P-C4' energy: -135.503 flat angles C4'-P-C4' energy: -140.772 flat angles P-C4'-P energy: -90.022 tors. eta vs tors. theta energy: -139.826 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: 2 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1154.451778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.451778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.451778 (E_RNA) where: Base-Base interactions energy: -650.845 where: short stacking energy: -322.717 Base-Backbone interact. energy: 3.848 local terms energy: -507.454373 where: bonds (distance) C4'-P energy: -119.805 bonds (distance) P-C4' energy: -148.858 flat angles C4'-P-C4' energy: -123.306 flat angles P-C4'-P energy: -69.089 tors. eta vs tors. theta energy: -46.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -622.493622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.493622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.493622 (E_RNA) where: Base-Base interactions energy: -221.517 where: short stacking energy: -197.844 Base-Backbone interact. energy: 1.960 local terms energy: -402.936232 where: bonds (distance) C4'-P energy: -121.721 bonds (distance) P-C4' energy: -130.609 flat angles C4'-P-C4' energy: -109.692 flat angles P-C4'-P energy: -64.866 tors. eta vs tors. theta energy: 23.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -3079.692786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.692786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.692786 (E_RNA) where: Base-Base interactions energy: -2193.893 where: short stacking energy: -859.754 Base-Backbone interact. energy: -10.154 local terms energy: -875.645150 where: bonds (distance) C4'-P energy: -155.185 bonds (distance) P-C4' energy: -160.110 flat angles C4'-P-C4' energy: -179.720 flat angles P-C4'-P energy: -139.205 tors. eta vs tors. theta energy: -241.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2872.569643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.569643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.569643 (E_RNA) where: Base-Base interactions energy: -2032.000 where: short stacking energy: -832.146 Base-Backbone interact. energy: -2.970 local terms energy: -837.599430 where: bonds (distance) C4'-P energy: -126.690 bonds (distance) P-C4' energy: -161.408 flat angles C4'-P-C4' energy: -178.032 flat angles P-C4'-P energy: -134.955 tors. eta vs tors. theta energy: -236.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2708.043917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.043917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.043917 (E_RNA) where: Base-Base interactions energy: -1876.607 where: short stacking energy: -778.852 Base-Backbone interact. energy: -3.163 local terms energy: -828.274172 where: bonds (distance) C4'-P energy: -158.441 bonds (distance) P-C4' energy: -173.095 flat angles C4'-P-C4' energy: -181.498 flat angles P-C4'-P energy: -111.767 tors. eta vs tors. theta energy: -203.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2632.560152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.560152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.560152 (E_RNA) where: Base-Base interactions energy: -1849.422 where: short stacking energy: -764.542 Base-Backbone interact. energy: 0.363 local terms energy: -783.501236 where: bonds (distance) C4'-P energy: -152.918 bonds (distance) P-C4' energy: -157.804 flat angles C4'-P-C4' energy: -172.966 flat angles P-C4'-P energy: -89.045 tors. eta vs tors. theta energy: -210.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2435.267671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.267671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.267671 (E_RNA) where: Base-Base interactions energy: -1651.856 where: short stacking energy: -712.903 Base-Backbone interact. energy: -3.419 local terms energy: -779.993014 where: bonds (distance) C4'-P energy: -140.739 bonds (distance) P-C4' energy: -150.284 flat angles C4'-P-C4' energy: -180.715 flat angles P-C4'-P energy: -115.908 tors. eta vs tors. theta energy: -192.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -2194.069723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.069723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.069723 (E_RNA) where: Base-Base interactions energy: -1514.613 where: short stacking energy: -644.748 Base-Backbone interact. energy: -3.972 local terms energy: -675.484416 where: bonds (distance) C4'-P energy: -130.055 bonds (distance) P-C4' energy: -151.124 flat angles C4'-P-C4' energy: -153.384 flat angles P-C4'-P energy: -83.700 tors. eta vs tors. theta energy: -157.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -2056.144415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.144415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.144415 (E_RNA) where: Base-Base interactions energy: -1412.079 where: short stacking energy: -588.798 Base-Backbone interact. energy: 4.074 local terms energy: -648.139668 where: bonds (distance) C4'-P energy: -138.308 bonds (distance) P-C4' energy: -135.139 flat angles C4'-P-C4' energy: -158.050 flat angles P-C4'-P energy: -74.831 tors. eta vs tors. theta energy: -141.810 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: 8, replica: 6 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1803.094640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.094640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.094640 (E_RNA) where: Base-Base interactions energy: -1169.648 where: short stacking energy: -516.079 Base-Backbone interact. energy: -2.142 local terms energy: -631.305041 where: bonds (distance) C4'-P energy: -136.356 bonds (distance) P-C4' energy: -149.094 flat angles C4'-P-C4' energy: -148.428 flat angles P-C4'-P energy: -93.552 tors. eta vs tors. theta energy: -103.875 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: 2 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1156.206466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.206466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.206466 (E_RNA) where: Base-Base interactions energy: -669.625 where: short stacking energy: -334.268 Base-Backbone interact. energy: -2.749 local terms energy: -483.832872 where: bonds (distance) C4'-P energy: -137.549 bonds (distance) P-C4' energy: -151.648 flat angles C4'-P-C4' energy: -108.270 flat angles P-C4'-P energy: -59.856 tors. eta vs tors. theta energy: -26.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -627.627102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.627102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.627102 (E_RNA) where: Base-Base interactions energy: -217.769 where: short stacking energy: -169.031 Base-Backbone interact. energy: -3.855 local terms energy: -406.178418 where: bonds (distance) C4'-P energy: -121.640 bonds (distance) P-C4' energy: -126.451 flat angles C4'-P-C4' energy: -123.201 flat angles P-C4'-P energy: -65.990 tors. eta vs tors. theta energy: 31.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.175 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -3051.477284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.477284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.477284 (E_RNA) where: Base-Base interactions energy: -2172.494 where: short stacking energy: -869.871 Base-Backbone interact. energy: -7.222 local terms energy: -871.761091 where: bonds (distance) C4'-P energy: -146.324 bonds (distance) P-C4' energy: -181.676 flat angles C4'-P-C4' energy: -180.654 flat angles P-C4'-P energy: -128.587 tors. eta vs tors. theta energy: -234.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2875.605039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.605039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.605039 (E_RNA) where: Base-Base interactions energy: -2046.723 where: short stacking energy: -815.774 Base-Backbone interact. energy: -1.568 local terms energy: -827.313549 where: bonds (distance) C4'-P energy: -153.120 bonds (distance) P-C4' energy: -157.360 flat angles C4'-P-C4' energy: -173.989 flat angles P-C4'-P energy: -119.226 tors. eta vs tors. theta energy: -223.619 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: 464 Temperature: 1.000000 Total energy: -2712.040783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.040783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.040783 (E_RNA) where: Base-Base interactions energy: -1874.481 where: short stacking energy: -787.718 Base-Backbone interact. energy: -4.655 local terms energy: -832.904252 where: bonds (distance) C4'-P energy: -143.347 bonds (distance) P-C4' energy: -170.264 flat angles C4'-P-C4' energy: -172.763 flat angles P-C4'-P energy: -123.972 tors. eta vs tors. theta energy: -222.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2635.991393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.991393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.991393 (E_RNA) where: Base-Base interactions energy: -1830.730 where: short stacking energy: -769.301 Base-Backbone interact. energy: -3.391 local terms energy: -801.871031 where: bonds (distance) C4'-P energy: -161.440 bonds (distance) P-C4' energy: -139.611 flat angles C4'-P-C4' energy: -180.581 flat angles P-C4'-P energy: -109.714 tors. eta vs tors. theta energy: -210.524 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: 8 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -2426.038120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.038120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.038120 (E_RNA) where: Base-Base interactions energy: -1667.480 where: short stacking energy: -689.524 Base-Backbone interact. energy: 3.330 local terms energy: -761.887973 where: bonds (distance) C4'-P energy: -138.391 bonds (distance) P-C4' energy: -162.121 flat angles C4'-P-C4' energy: -162.570 flat angles P-C4'-P energy: -119.305 tors. eta vs tors. theta energy: -179.500 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: 4 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -2216.734332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.734332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.734332 (E_RNA) where: Base-Base interactions energy: -1515.821 where: short stacking energy: -661.655 Base-Backbone interact. energy: -6.192 local terms energy: -694.721579 where: bonds (distance) C4'-P energy: -140.440 bonds (distance) P-C4' energy: -125.480 flat angles C4'-P-C4' energy: -146.237 flat angles P-C4'-P energy: -106.838 tors. eta vs tors. theta energy: -175.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -2087.028046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.028046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.028046 (E_RNA) where: Base-Base interactions energy: -1405.760 where: short stacking energy: -594.708 Base-Backbone interact. energy: -2.160 local terms energy: -679.107863 where: bonds (distance) C4'-P energy: -125.512 bonds (distance) P-C4' energy: -163.966 flat angles C4'-P-C4' energy: -147.343 flat angles P-C4'-P energy: -101.868 tors. eta vs tors. theta energy: -140.419 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: 6 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1822.622317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.622317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.622317 (E_RNA) where: Base-Base interactions energy: -1216.309 where: short stacking energy: -548.304 Base-Backbone interact. energy: 2.956 local terms energy: -609.269302 where: bonds (distance) C4'-P energy: -122.648 bonds (distance) P-C4' energy: -144.199 flat angles C4'-P-C4' energy: -128.314 flat angles P-C4'-P energy: -91.377 tors. eta vs tors. theta energy: -122.732 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: 2 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -1260.681948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.681948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.681948 (E_RNA) where: Base-Base interactions energy: -735.062 where: short stacking energy: -343.252 Base-Backbone interact. energy: 5.993 local terms energy: -531.612765 where: bonds (distance) C4'-P energy: -123.658 bonds (distance) P-C4' energy: -132.937 flat angles C4'-P-C4' energy: -141.985 flat angles P-C4'-P energy: -90.087 tors. eta vs tors. theta energy: -42.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -675.297880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.297880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.297880 (E_RNA) where: Base-Base interactions energy: -303.166 where: short stacking energy: -210.733 Base-Backbone interact. energy: 2.346 local terms energy: -374.882088 where: bonds (distance) C4'-P energy: -113.690 bonds (distance) P-C4' energy: -109.600 flat angles C4'-P-C4' energy: -114.734 flat angles P-C4'-P energy: -68.835 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: 0.404 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -3035.356037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.356037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.356037 (E_RNA) where: Base-Base interactions energy: -2189.478 where: short stacking energy: -852.056 Base-Backbone interact. energy: -0.428 local terms energy: -845.450249 where: bonds (distance) C4'-P energy: -146.009 bonds (distance) P-C4' energy: -153.848 flat angles C4'-P-C4' energy: -177.747 flat angles P-C4'-P energy: -135.275 tors. eta vs tors. theta energy: -232.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2837.311459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.311459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.311459 (E_RNA) where: Base-Base interactions energy: -1970.903 where: short stacking energy: -801.027 Base-Backbone interact. energy: -3.656 local terms energy: -862.752629 where: bonds (distance) C4'-P energy: -176.238 bonds (distance) P-C4' energy: -155.363 flat angles C4'-P-C4' energy: -179.642 flat angles P-C4'-P energy: -131.226 tors. eta vs tors. theta energy: -220.283 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: 1 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2747.563083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.563083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.563083 (E_RNA) where: Base-Base interactions energy: -1925.402 where: short stacking energy: -809.050 Base-Backbone interact. energy: -3.112 local terms energy: -819.048634 where: bonds (distance) C4'-P energy: -149.961 bonds (distance) P-C4' energy: -162.824 flat angles C4'-P-C4' energy: -182.242 flat angles P-C4'-P energy: -102.311 tors. eta vs tors. theta energy: -221.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2597.274495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.274495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.274495 (E_RNA) where: Base-Base interactions energy: -1821.145 where: short stacking energy: -737.336 Base-Backbone interact. energy: -4.537 local terms energy: -771.592220 where: bonds (distance) C4'-P energy: -145.813 bonds (distance) P-C4' energy: -132.460 flat angles C4'-P-C4' energy: -174.570 flat angles P-C4'-P energy: -109.998 tors. eta vs tors. theta energy: -208.751 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: 8 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2477.419484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.419484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.419484 (E_RNA) where: Base-Base interactions energy: -1685.081 where: short stacking energy: -710.990 Base-Backbone interact. energy: -2.178 local terms energy: -790.160865 where: bonds (distance) C4'-P energy: -160.845 bonds (distance) P-C4' energy: -159.164 flat angles C4'-P-C4' energy: -156.000 flat angles P-C4'-P energy: -108.691 tors. eta vs tors. theta energy: -205.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -2183.395204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.395204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.395204 (E_RNA) where: Base-Base interactions energy: -1466.275 where: short stacking energy: -599.142 Base-Backbone interact. energy: 0.496 local terms energy: -717.616455 where: bonds (distance) C4'-P energy: -148.606 bonds (distance) P-C4' energy: -168.525 flat angles C4'-P-C4' energy: -161.213 flat angles P-C4'-P energy: -95.673 tors. eta vs tors. theta energy: -143.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -2097.549921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.549921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.549921 (E_RNA) where: Base-Base interactions energy: -1412.917 where: short stacking energy: -626.777 Base-Backbone interact. energy: 2.265 local terms energy: -686.898385 where: bonds (distance) C4'-P energy: -125.656 bonds (distance) P-C4' energy: -160.583 flat angles C4'-P-C4' energy: -150.883 flat angles P-C4'-P energy: -93.229 tors. eta vs tors. theta energy: -156.548 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: 6 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1743.395357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.395357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.395357 (E_RNA) where: Base-Base interactions energy: -1163.136 where: short stacking energy: -520.760 Base-Backbone interact. energy: 3.106 local terms energy: -583.365684 where: bonds (distance) C4'-P energy: -115.586 bonds (distance) P-C4' energy: -128.497 flat angles C4'-P-C4' energy: -136.490 flat angles P-C4'-P energy: -86.333 tors. eta vs tors. theta energy: -116.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -1218.930669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.930669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.930669 (E_RNA) where: Base-Base interactions energy: -704.406 where: short stacking energy: -338.394 Base-Backbone interact. energy: 0.783 local terms energy: -515.308065 where: bonds (distance) C4'-P energy: -112.049 bonds (distance) P-C4' energy: -145.091 flat angles C4'-P-C4' energy: -139.275 flat angles P-C4'-P energy: -86.468 tors. eta vs tors. theta energy: -32.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -667.680959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.680959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.680959 (E_RNA) where: Base-Base interactions energy: -288.404 where: short stacking energy: -228.253 Base-Backbone interact. energy: 1.328 local terms energy: -380.789304 where: bonds (distance) C4'-P energy: -128.649 bonds (distance) P-C4' energy: -134.094 flat angles C4'-P-C4' energy: -88.966 flat angles P-C4'-P energy: -49.464 tors. eta vs tors. theta energy: 20.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.184 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -3054.227758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.227758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.227758 (E_RNA) where: Base-Base interactions energy: -2168.819 where: short stacking energy: -853.303 Base-Backbone interact. energy: -3.475 local terms energy: -881.933724 where: bonds (distance) C4'-P energy: -161.557 bonds (distance) P-C4' energy: -156.157 flat angles C4'-P-C4' energy: -185.650 flat angles P-C4'-P energy: -135.073 tors. eta vs tors. theta energy: -243.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2881.368401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.368401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.368401 (E_RNA) where: Base-Base interactions energy: -2050.787 where: short stacking energy: -797.061 Base-Backbone interact. energy: -8.614 local terms energy: -821.967854 where: bonds (distance) C4'-P energy: -145.441 bonds (distance) P-C4' energy: -163.379 flat angles C4'-P-C4' energy: -191.806 flat angles P-C4'-P energy: -106.095 tors. eta vs tors. theta energy: -215.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2729.249820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.249820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.249820 (E_RNA) where: Base-Base interactions energy: -1897.858 where: short stacking energy: -780.648 Base-Backbone interact. energy: -0.988 local terms energy: -830.403437 where: bonds (distance) C4'-P energy: -164.501 bonds (distance) P-C4' energy: -166.639 flat angles C4'-P-C4' energy: -169.285 flat angles P-C4'-P energy: -119.060 tors. eta vs tors. theta energy: -210.918 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: 7 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2612.011856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.011856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.011856 (E_RNA) where: Base-Base interactions energy: -1808.992 where: short stacking energy: -750.494 Base-Backbone interact. energy: -2.963 local terms energy: -800.057215 where: bonds (distance) C4'-P energy: -139.397 bonds (distance) P-C4' energy: -158.774 flat angles C4'-P-C4' energy: -173.242 flat angles P-C4'-P energy: -114.459 tors. eta vs tors. theta energy: -214.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2463.295173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.295173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.295173 (E_RNA) where: Base-Base interactions energy: -1703.455 where: short stacking energy: -716.300 Base-Backbone interact. energy: -0.318 local terms energy: -759.521876 where: bonds (distance) C4'-P energy: -130.671 bonds (distance) P-C4' energy: -128.684 flat angles C4'-P-C4' energy: -179.377 flat angles P-C4'-P energy: -120.428 tors. eta vs tors. theta energy: -200.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -2226.565690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.565690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.565690 (E_RNA) where: Base-Base interactions energy: -1541.960 where: short stacking energy: -643.851 Base-Backbone interact. energy: -2.389 local terms energy: -682.216559 where: bonds (distance) C4'-P energy: -130.582 bonds (distance) P-C4' energy: -150.620 flat angles C4'-P-C4' energy: -153.830 flat angles P-C4'-P energy: -90.160 tors. eta vs tors. theta energy: -157.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -2058.932240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.932240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.932240 (E_RNA) where: Base-Base interactions energy: -1369.765 where: short stacking energy: -596.751 Base-Backbone interact. energy: -2.769 local terms energy: -686.397407 where: bonds (distance) C4'-P energy: -132.071 bonds (distance) P-C4' energy: -162.258 flat angles C4'-P-C4' energy: -145.934 flat angles P-C4'-P energy: -119.321 tors. eta vs tors. theta energy: -126.814 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: 6 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1802.277477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.277477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.277477 (E_RNA) where: Base-Base interactions energy: -1170.625 where: short stacking energy: -493.998 Base-Backbone interact. energy: -3.132 local terms energy: -628.520967 where: bonds (distance) C4'-P energy: -138.956 bonds (distance) P-C4' energy: -138.891 flat angles C4'-P-C4' energy: -144.548 flat angles P-C4'-P energy: -93.889 tors. eta vs tors. theta energy: -112.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1164.713448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.713448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.713448 (E_RNA) where: Base-Base interactions energy: -676.808 where: short stacking energy: -360.530 Base-Backbone interact. energy: 3.576 local terms energy: -491.481923 where: bonds (distance) C4'-P energy: -111.862 bonds (distance) P-C4' energy: -118.954 flat angles C4'-P-C4' energy: -140.252 flat angles P-C4'-P energy: -73.799 tors. eta vs tors. theta energy: -46.615 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: 10, replica: 10 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -578.007145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.007145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.007145 (E_RNA) where: Base-Base interactions energy: -173.387 where: short stacking energy: -121.676 Base-Backbone interact. energy: -0.527 local terms energy: -404.093209 where: bonds (distance) C4'-P energy: -135.964 bonds (distance) P-C4' energy: -139.920 flat angles C4'-P-C4' energy: -104.732 flat angles P-C4'-P energy: -51.065 tors. eta vs tors. theta energy: 27.589 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: 467 Temperature: 0.900000 Total energy: -3012.691307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.691307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.691307 (E_RNA) where: Base-Base interactions energy: -2142.154 where: short stacking energy: -844.871 Base-Backbone interact. energy: -3.818 local terms energy: -866.719153 where: bonds (distance) C4'-P energy: -159.964 bonds (distance) P-C4' energy: -161.322 flat angles C4'-P-C4' energy: -182.949 flat angles P-C4'-P energy: -133.618 tors. eta vs tors. theta energy: -228.866 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: 467 Temperature: 0.950000 Total energy: -2864.893010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.893010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.893010 (E_RNA) where: Base-Base interactions energy: -2003.552 where: short stacking energy: -837.900 Base-Backbone interact. energy: -1.206 local terms energy: -860.135090 where: bonds (distance) C4'-P energy: -152.655 bonds (distance) P-C4' energy: -172.857 flat angles C4'-P-C4' energy: -185.514 flat angles P-C4'-P energy: -124.606 tors. eta vs tors. theta energy: -224.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2764.353507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.353507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.353507 (E_RNA) where: Base-Base interactions energy: -1906.522 where: short stacking energy: -772.761 Base-Backbone interact. energy: -7.195 local terms energy: -850.636432 where: bonds (distance) C4'-P energy: -159.469 bonds (distance) P-C4' energy: -163.231 flat angles C4'-P-C4' energy: -195.534 flat angles P-C4'-P energy: -118.651 tors. eta vs tors. theta energy: -213.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2586.249494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.249494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.249494 (E_RNA) where: Base-Base interactions energy: -1811.722 where: short stacking energy: -741.362 Base-Backbone interact. energy: -2.351 local terms energy: -772.176337 where: bonds (distance) C4'-P energy: -143.949 bonds (distance) P-C4' energy: -149.107 flat angles C4'-P-C4' energy: -154.418 flat angles P-C4'-P energy: -125.021 tors. eta vs tors. theta energy: -199.681 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: 8 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2461.993292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.993292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.993292 (E_RNA) where: Base-Base interactions energy: -1700.514 where: short stacking energy: -728.132 Base-Backbone interact. energy: 3.907 local terms energy: -765.386753 where: bonds (distance) C4'-P energy: -132.939 bonds (distance) P-C4' energy: -164.317 flat angles C4'-P-C4' energy: -154.820 flat angles P-C4'-P energy: -118.136 tors. eta vs tors. theta energy: -195.175 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: 4 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -2246.371107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.371107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.371107 (E_RNA) where: Base-Base interactions energy: -1521.816 where: short stacking energy: -647.387 Base-Backbone interact. energy: -2.226 local terms energy: -722.329575 where: bonds (distance) C4'-P energy: -143.490 bonds (distance) P-C4' energy: -153.431 flat angles C4'-P-C4' energy: -146.591 flat angles P-C4'-P energy: -109.252 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: 7, replica: 9 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -2085.134541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.134541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.134541 (E_RNA) where: Base-Base interactions energy: -1424.168 where: short stacking energy: -609.056 Base-Backbone interact. energy: -0.593 local terms energy: -660.373452 where: bonds (distance) C4'-P energy: -127.194 bonds (distance) P-C4' energy: -132.537 flat angles C4'-P-C4' energy: -164.447 flat angles P-C4'-P energy: -88.063 tors. eta vs tors. theta energy: -148.132 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: 6 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1730.636014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.636014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.636014 (E_RNA) where: Base-Base interactions energy: -1128.311 where: short stacking energy: -502.181 Base-Backbone interact. energy: 0.290 local terms energy: -602.615884 where: bonds (distance) C4'-P energy: -119.293 bonds (distance) P-C4' energy: -150.380 flat angles C4'-P-C4' energy: -137.336 flat angles P-C4'-P energy: -72.604 tors. eta vs tors. theta energy: -123.003 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: 2 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -1199.785369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.785369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.785369 (E_RNA) where: Base-Base interactions energy: -683.378 where: short stacking energy: -334.575 Base-Backbone interact. energy: -1.617 local terms energy: -514.791198 where: bonds (distance) C4'-P energy: -120.549 bonds (distance) P-C4' energy: -150.546 flat angles C4'-P-C4' energy: -116.025 flat angles P-C4'-P energy: -89.706 tors. eta vs tors. theta energy: -37.965 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: 10, replica: 10 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -628.038286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.038286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.038286 (E_RNA) where: Base-Base interactions energy: -228.395 where: short stacking energy: -181.634 Base-Backbone interact. energy: 2.523 local terms energy: -402.165911 where: bonds (distance) C4'-P energy: -121.111 bonds (distance) P-C4' energy: -146.311 flat angles C4'-P-C4' energy: -109.244 flat angles P-C4'-P energy: -58.012 tors. eta vs tors. theta energy: 32.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -3024.330614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.330614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.330614 (E_RNA) where: Base-Base interactions energy: -2131.720 where: short stacking energy: -854.398 Base-Backbone interact. energy: -2.743 local terms energy: -889.867448 where: bonds (distance) C4'-P energy: -157.573 bonds (distance) P-C4' energy: -169.440 flat angles C4'-P-C4' energy: -185.371 flat angles P-C4'-P energy: -135.323 tors. eta vs tors. theta energy: -242.160 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: 5 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2846.283020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.283020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.283020 (E_RNA) where: Base-Base interactions energy: -1999.871 where: short stacking energy: -829.018 Base-Backbone interact. energy: -2.388 local terms energy: -844.024105 where: bonds (distance) C4'-P energy: -151.497 bonds (distance) P-C4' energy: -167.520 flat angles C4'-P-C4' energy: -174.620 flat angles P-C4'-P energy: -123.112 tors. eta vs tors. theta energy: -227.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2717.669804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.669804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.669804 (E_RNA) where: Base-Base interactions energy: -1888.796 where: short stacking energy: -787.940 Base-Backbone interact. energy: -0.311 local terms energy: -828.563139 where: bonds (distance) C4'-P energy: -144.641 bonds (distance) P-C4' energy: -167.162 flat angles C4'-P-C4' energy: -170.660 flat angles P-C4'-P energy: -126.865 tors. eta vs tors. theta energy: -219.236 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: 4, replica: 7 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2597.512328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.512328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.512328 (E_RNA) where: Base-Base interactions energy: -1815.540 where: short stacking energy: -751.939 Base-Backbone interact. energy: -4.987 local terms energy: -776.984809 where: bonds (distance) C4'-P energy: -136.461 bonds (distance) P-C4' energy: -156.943 flat angles C4'-P-C4' energy: -173.710 flat angles P-C4'-P energy: -111.898 tors. eta vs tors. theta energy: -197.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2357.752665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.752665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.752665 (E_RNA) where: Base-Base interactions energy: -1597.076 where: short stacking energy: -686.988 Base-Backbone interact. energy: 2.222 local terms energy: -762.898074 where: bonds (distance) C4'-P energy: -156.663 bonds (distance) P-C4' energy: -140.066 flat angles C4'-P-C4' energy: -171.447 flat angles P-C4'-P energy: -111.344 tors. eta vs tors. theta energy: -183.378 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: 8 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -2409.317411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.317411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.317411 (E_RNA) where: Base-Base interactions energy: -1658.510 where: short stacking energy: -704.112 Base-Backbone interact. energy: -2.991 local terms energy: -747.816331 where: bonds (distance) C4'-P energy: -146.743 bonds (distance) P-C4' energy: -151.090 flat angles C4'-P-C4' energy: -156.779 flat angles P-C4'-P energy: -106.375 tors. eta vs tors. theta energy: -186.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -2133.011472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.011472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.011472 (E_RNA) where: Base-Base interactions energy: -1444.803 where: short stacking energy: -636.586 Base-Backbone interact. energy: 3.172 local terms energy: -691.381107 where: bonds (distance) C4'-P energy: -129.663 bonds (distance) P-C4' energy: -152.555 flat angles C4'-P-C4' energy: -141.878 flat angles P-C4'-P energy: -102.173 tors. eta vs tors. theta energy: -165.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1660.180854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.180854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.180854 (E_RNA) where: Base-Base interactions energy: -1071.766 where: short stacking energy: -483.059 Base-Backbone interact. energy: 6.537 local terms energy: -594.951207 where: bonds (distance) C4'-P energy: -134.670 bonds (distance) P-C4' energy: -141.397 flat angles C4'-P-C4' energy: -138.227 flat angles P-C4'-P energy: -91.861 tors. eta vs tors. theta energy: -88.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1181.593761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.593761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.593761 (E_RNA) where: Base-Base interactions energy: -686.120 where: short stacking energy: -338.699 Base-Backbone interact. energy: 1.506 local terms energy: -496.979108 where: bonds (distance) C4'-P energy: -127.431 bonds (distance) P-C4' energy: -123.159 flat angles C4'-P-C4' energy: -118.353 flat angles P-C4'-P energy: -90.355 tors. eta vs tors. theta energy: -37.680 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: 10 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -629.213940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.213940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.213940 (E_RNA) where: Base-Base interactions energy: -213.373 where: short stacking energy: -173.413 Base-Backbone interact. energy: 4.731 local terms energy: -420.571784 where: bonds (distance) C4'-P energy: -125.213 bonds (distance) P-C4' energy: -135.334 flat angles C4'-P-C4' energy: -133.689 flat angles P-C4'-P energy: -59.270 tors. eta vs tors. theta energy: 32.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -3026.894455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.894455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.894455 (E_RNA) where: Base-Base interactions energy: -2177.499 where: short stacking energy: -861.000 Base-Backbone interact. energy: -5.528 local terms energy: -843.866831 where: bonds (distance) C4'-P energy: -146.355 bonds (distance) P-C4' energy: -173.638 flat angles C4'-P-C4' energy: -178.344 flat angles P-C4'-P energy: -123.675 tors. eta vs tors. theta energy: -221.855 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: 5 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -2877.211724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.211724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.211724 (E_RNA) where: Base-Base interactions energy: -2031.202 where: short stacking energy: -819.197 Base-Backbone interact. energy: -6.502 local terms energy: -839.508165 where: bonds (distance) C4'-P energy: -170.445 bonds (distance) P-C4' energy: -167.942 flat angles C4'-P-C4' energy: -159.821 flat angles P-C4'-P energy: -110.315 tors. eta vs tors. theta energy: -230.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2720.631356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.631356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.631356 (E_RNA) where: Base-Base interactions energy: -1915.054 where: short stacking energy: -776.229 Base-Backbone interact. energy: -2.064 local terms energy: -803.513539 where: bonds (distance) C4'-P energy: -155.277 bonds (distance) P-C4' energy: -156.856 flat angles C4'-P-C4' energy: -176.543 flat angles P-C4'-P energy: -119.251 tors. eta vs tors. theta energy: -195.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2634.181625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.181625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.181625 (E_RNA) where: Base-Base interactions energy: -1838.192 where: short stacking energy: -776.688 Base-Backbone interact. energy: 0.456 local terms energy: -796.445287 where: bonds (distance) C4'-P energy: -143.264 bonds (distance) P-C4' energy: -161.890 flat angles C4'-P-C4' energy: -167.191 flat angles P-C4'-P energy: -104.464 tors. eta vs tors. theta energy: -219.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -2346.693660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.693660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.693660 (E_RNA) where: Base-Base interactions energy: -1605.471 where: short stacking energy: -682.209 Base-Backbone interact. energy: -3.141 local terms energy: -738.081596 where: bonds (distance) C4'-P energy: -140.279 bonds (distance) P-C4' energy: -159.851 flat angles C4'-P-C4' energy: -169.217 flat angles P-C4'-P energy: -91.886 tors. eta vs tors. theta energy: -176.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -2341.800331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.800331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.800331 (E_RNA) where: Base-Base interactions energy: -1604.544 where: short stacking energy: -680.446 Base-Backbone interact. energy: 0.133 local terms energy: -737.554800 where: bonds (distance) C4'-P energy: -131.347 bonds (distance) P-C4' energy: -153.745 flat angles C4'-P-C4' energy: -164.006 flat angles P-C4'-P energy: -101.504 tors. eta vs tors. theta energy: -186.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.165 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -2065.399011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.399011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.399011 (E_RNA) where: Base-Base interactions energy: -1400.984 where: short stacking energy: -597.503 Base-Backbone interact. energy: -2.163 local terms energy: -662.251728 where: bonds (distance) C4'-P energy: -124.184 bonds (distance) P-C4' energy: -148.639 flat angles C4'-P-C4' energy: -153.182 flat angles P-C4'-P energy: -96.842 tors. eta vs tors. theta energy: -139.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1631.959195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.959195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.959195 (E_RNA) where: Base-Base interactions energy: -1020.340 where: short stacking energy: -471.078 Base-Backbone interact. energy: -1.562 local terms energy: -610.057159 where: bonds (distance) C4'-P energy: -129.581 bonds (distance) P-C4' energy: -158.928 flat angles C4'-P-C4' energy: -146.232 flat angles P-C4'-P energy: -93.701 tors. eta vs tors. theta energy: -81.616 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: 9, replica: 2 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -1146.474369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.474369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.474369 (E_RNA) where: Base-Base interactions energy: -686.540 where: short stacking energy: -345.637 Base-Backbone interact. energy: 0.277 local terms energy: -460.210922 where: bonds (distance) C4'-P energy: -88.803 bonds (distance) P-C4' energy: -122.495 flat angles C4'-P-C4' energy: -124.305 flat angles P-C4'-P energy: -74.744 tors. eta vs tors. theta energy: -49.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -625.275042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.275042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.275042 (E_RNA) where: Base-Base interactions energy: -259.912 where: short stacking energy: -165.981 Base-Backbone interact. energy: -0.626 local terms energy: -364.737196 where: bonds (distance) C4'-P energy: -108.897 bonds (distance) P-C4' energy: -124.039 flat angles C4'-P-C4' energy: -85.719 flat angles P-C4'-P energy: -77.382 tors. eta vs tors. theta energy: 31.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -3047.226510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.226510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.226510 (E_RNA) where: Base-Base interactions energy: -2169.560 where: short stacking energy: -882.557 Base-Backbone interact. energy: -5.088 local terms energy: -872.578501 where: bonds (distance) C4'-P energy: -161.685 bonds (distance) P-C4' energy: -160.516 flat angles C4'-P-C4' energy: -188.830 flat angles P-C4'-P energy: -126.460 tors. eta vs tors. theta energy: -235.087 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: 470 Temperature: 0.950000 Total energy: -2873.299738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.299738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.299738 (E_RNA) where: Base-Base interactions energy: -2032.627 where: short stacking energy: -812.114 Base-Backbone interact. energy: -5.310 local terms energy: -835.362642 where: bonds (distance) C4'-P energy: -141.330 bonds (distance) P-C4' energy: -164.201 flat angles C4'-P-C4' energy: -180.624 flat angles P-C4'-P energy: -122.375 tors. eta vs tors. theta energy: -226.832 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: 1 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2702.366809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.366809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.366809 (E_RNA) where: Base-Base interactions energy: -1876.200 where: short stacking energy: -798.266 Base-Backbone interact. energy: -6.937 local terms energy: -819.230048 where: bonds (distance) C4'-P energy: -158.946 bonds (distance) P-C4' energy: -163.468 flat angles C4'-P-C4' energy: -182.848 flat angles P-C4'-P energy: -111.987 tors. eta vs tors. theta energy: -201.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2623.334650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.334650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.334650 (E_RNA) where: Base-Base interactions energy: -1813.276 where: short stacking energy: -745.991 Base-Backbone interact. energy: -4.763 local terms energy: -805.295796 where: bonds (distance) C4'-P energy: -150.615 bonds (distance) P-C4' energy: -164.808 flat angles C4'-P-C4' energy: -170.160 flat angles P-C4'-P energy: -113.743 tors. eta vs tors. theta energy: -205.970 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: 5, replica: 4 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -2386.024821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.024821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.024821 (E_RNA) where: Base-Base interactions energy: -1636.578 where: short stacking energy: -710.848 Base-Backbone interact. energy: 2.645 local terms energy: -752.091206 where: bonds (distance) C4'-P energy: -127.860 bonds (distance) P-C4' energy: -149.538 flat angles C4'-P-C4' energy: -168.602 flat angles P-C4'-P energy: -119.137 tors. eta vs tors. theta energy: -186.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -2359.612598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.612598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.612598 (E_RNA) where: Base-Base interactions energy: -1580.050 where: short stacking energy: -636.743 Base-Backbone interact. energy: -3.971 local terms energy: -775.591468 where: bonds (distance) C4'-P energy: -147.920 bonds (distance) P-C4' energy: -172.082 flat angles C4'-P-C4' energy: -162.473 flat angles P-C4'-P energy: -109.094 tors. eta vs tors. theta energy: -184.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -2128.653432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.653432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.653432 (E_RNA) where: Base-Base interactions energy: -1444.062 where: short stacking energy: -627.084 Base-Backbone interact. energy: -1.969 local terms energy: -682.622554 where: bonds (distance) C4'-P energy: -131.655 bonds (distance) P-C4' energy: -145.928 flat angles C4'-P-C4' energy: -153.039 flat angles P-C4'-P energy: -88.630 tors. eta vs tors. theta energy: -163.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1615.531729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.531729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.531729 (E_RNA) where: Base-Base interactions energy: -1081.914 where: short stacking energy: -474.512 Base-Backbone interact. energy: 0.371 local terms energy: -533.988535 where: bonds (distance) C4'-P energy: -109.129 bonds (distance) P-C4' energy: -121.146 flat angles C4'-P-C4' energy: -139.778 flat angles P-C4'-P energy: -77.274 tors. eta vs tors. theta energy: -86.662 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: 2 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -1192.380587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.380587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.380587 (E_RNA) where: Base-Base interactions energy: -680.667 where: short stacking energy: -336.546 Base-Backbone interact. energy: 1.072 local terms energy: -512.785853 where: bonds (distance) C4'-P energy: -135.635 bonds (distance) P-C4' energy: -146.197 flat angles C4'-P-C4' energy: -119.254 flat angles P-C4'-P energy: -91.990 tors. eta vs tors. theta energy: -19.709 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: 10, replica: 10 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -649.313833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.313833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.313833 (E_RNA) where: Base-Base interactions energy: -237.359 where: short stacking energy: -174.730 Base-Backbone interact. energy: 0.039 local terms energy: -411.993638 where: bonds (distance) C4'-P energy: -122.960 bonds (distance) P-C4' energy: -147.087 flat angles C4'-P-C4' energy: -115.182 flat angles P-C4'-P energy: -61.385 tors. eta vs tors. theta energy: 34.620 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: 3 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -3035.525903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.525903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.525903 (E_RNA) where: Base-Base interactions energy: -2154.055 where: short stacking energy: -851.639 Base-Backbone interact. energy: 0.756 local terms energy: -882.226870 where: bonds (distance) C4'-P energy: -154.845 bonds (distance) P-C4' energy: -178.355 flat angles C4'-P-C4' energy: -185.416 flat angles P-C4'-P energy: -128.605 tors. eta vs tors. theta energy: -235.007 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: 5 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -2891.513130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.513130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.513130 (E_RNA) where: Base-Base interactions energy: -2062.581 where: short stacking energy: -851.536 Base-Backbone interact. energy: -3.818 local terms energy: -825.113924 where: bonds (distance) C4'-P energy: -149.450 bonds (distance) P-C4' energy: -167.741 flat angles C4'-P-C4' energy: -179.558 flat angles P-C4'-P energy: -103.368 tors. eta vs tors. theta energy: -224.996 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: 1 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2731.607474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.607474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.607474 (E_RNA) where: Base-Base interactions energy: -1900.440 where: short stacking energy: -770.595 Base-Backbone interact. energy: -2.904 local terms energy: -828.263536 where: bonds (distance) C4'-P energy: -153.487 bonds (distance) P-C4' energy: -161.766 flat angles C4'-P-C4' energy: -177.471 flat angles P-C4'-P energy: -133.446 tors. eta vs tors. theta energy: -202.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2621.723312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.723312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.723312 (E_RNA) where: Base-Base interactions energy: -1823.486 where: short stacking energy: -780.062 Base-Backbone interact. energy: -1.794 local terms energy: -796.443682 where: bonds (distance) C4'-P energy: -144.101 bonds (distance) P-C4' energy: -158.828 flat angles C4'-P-C4' energy: -167.207 flat angles P-C4'-P energy: -124.722 tors. eta vs tors. theta energy: -201.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -2330.285347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.285347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.285347 (E_RNA) where: Base-Base interactions energy: -1579.798 where: short stacking energy: -685.973 Base-Backbone interact. energy: -0.071 local terms energy: -751.834794 where: bonds (distance) C4'-P energy: -144.846 bonds (distance) P-C4' energy: -155.164 flat angles C4'-P-C4' energy: -174.291 flat angles P-C4'-P energy: -103.709 tors. eta vs tors. theta energy: -173.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.418 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -2357.450302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.450302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.450302 (E_RNA) where: Base-Base interactions energy: -1642.817 where: short stacking energy: -704.915 Base-Backbone interact. energy: -5.789 local terms energy: -708.843909 where: bonds (distance) C4'-P energy: -150.271 bonds (distance) P-C4' energy: -124.501 flat angles C4'-P-C4' energy: -141.795 flat angles P-C4'-P energy: -110.122 tors. eta vs tors. theta energy: -182.155 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: 9 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -2106.087872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.087872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.087872 (E_RNA) where: Base-Base interactions energy: -1396.212 where: short stacking energy: -619.423 Base-Backbone interact. energy: 0.587 local terms energy: -710.462868 where: bonds (distance) C4'-P energy: -135.881 bonds (distance) P-C4' energy: -165.993 flat angles C4'-P-C4' energy: -148.501 flat angles P-C4'-P energy: -100.302 tors. eta vs tors. theta energy: -159.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1641.705272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.705272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.705272 (E_RNA) where: Base-Base interactions energy: -1036.630 where: short stacking energy: -473.910 Base-Backbone interact. energy: 2.035 local terms energy: -607.109883 where: bonds (distance) C4'-P energy: -144.769 bonds (distance) P-C4' energy: -141.127 flat angles C4'-P-C4' energy: -133.265 flat angles P-C4'-P energy: -98.977 tors. eta vs tors. theta energy: -88.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -1205.467128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.467128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.467128 (E_RNA) where: Base-Base interactions energy: -695.773 where: short stacking energy: -356.858 Base-Backbone interact. energy: 6.873 local terms energy: -516.567467 where: bonds (distance) C4'-P energy: -121.908 bonds (distance) P-C4' energy: -145.741 flat angles C4'-P-C4' energy: -135.324 flat angles P-C4'-P energy: -73.823 tors. eta vs tors. theta energy: -39.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -602.154799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.154799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.154799 (E_RNA) where: Base-Base interactions energy: -204.666 where: short stacking energy: -172.434 Base-Backbone interact. energy: 0.604 local terms energy: -398.469507 where: bonds (distance) C4'-P energy: -147.800 bonds (distance) P-C4' energy: -122.710 flat angles C4'-P-C4' energy: -118.830 flat angles P-C4'-P energy: -66.260 tors. eta vs tors. theta energy: 57.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.376 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -3042.870720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.870720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.870720 (E_RNA) where: Base-Base interactions energy: -2158.236 where: short stacking energy: -863.702 Base-Backbone interact. energy: -6.965 local terms energy: -877.669723 where: bonds (distance) C4'-P energy: -156.639 bonds (distance) P-C4' energy: -157.342 flat angles C4'-P-C4' energy: -194.667 flat angles P-C4'-P energy: -127.611 tors. eta vs tors. theta energy: -241.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -2919.579619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.579619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.579619 (E_RNA) where: Base-Base interactions energy: -2026.802 where: short stacking energy: -825.412 Base-Backbone interact. energy: -6.869 local terms energy: -885.909131 where: bonds (distance) C4'-P energy: -160.593 bonds (distance) P-C4' energy: -171.787 flat angles C4'-P-C4' energy: -183.969 flat angles P-C4'-P energy: -128.988 tors. eta vs tors. theta energy: -240.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2704.584744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.584744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.584744 (E_RNA) where: Base-Base interactions energy: -1895.317 where: short stacking energy: -792.980 Base-Backbone interact. energy: -3.439 local terms energy: -805.828599 where: bonds (distance) C4'-P energy: -147.458 bonds (distance) P-C4' energy: -146.323 flat angles C4'-P-C4' energy: -166.723 flat angles P-C4'-P energy: -116.796 tors. eta vs tors. theta energy: -228.527 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: 7 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2576.860752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.860752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.860752 (E_RNA) where: Base-Base interactions energy: -1757.172 where: short stacking energy: -743.006 Base-Backbone interact. energy: -3.613 local terms energy: -816.075097 where: bonds (distance) C4'-P energy: -154.011 bonds (distance) P-C4' energy: -149.756 flat angles C4'-P-C4' energy: -178.591 flat angles P-C4'-P energy: -123.484 tors. eta vs tors. theta energy: -210.233 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: 472 Temperature: 1.100000 Total energy: -2351.613396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.613396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.613396 (E_RNA) where: Base-Base interactions energy: -1624.221 where: short stacking energy: -685.141 Base-Backbone interact. energy: -3.267 local terms energy: -724.124735 where: bonds (distance) C4'-P energy: -123.225 bonds (distance) P-C4' energy: -152.308 flat angles C4'-P-C4' energy: -164.123 flat angles P-C4'-P energy: -98.443 tors. eta vs tors. theta energy: -186.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -2383.277441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.277441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.277441 (E_RNA) where: Base-Base interactions energy: -1619.428 where: short stacking energy: -669.241 Base-Backbone interact. energy: -4.166 local terms energy: -759.683787 where: bonds (distance) C4'-P energy: -138.665 bonds (distance) P-C4' energy: -160.147 flat angles C4'-P-C4' energy: -167.500 flat angles P-C4'-P energy: -114.317 tors. eta vs tors. theta energy: -179.054 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: 9 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -2078.758687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.758687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.758687 (E_RNA) where: Base-Base interactions energy: -1409.316 where: short stacking energy: -619.704 Base-Backbone interact. energy: -1.015 local terms energy: -668.427763 where: bonds (distance) C4'-P energy: -129.460 bonds (distance) P-C4' energy: -142.372 flat angles C4'-P-C4' energy: -136.792 flat angles P-C4'-P energy: -91.205 tors. eta vs tors. theta energy: -168.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1611.597420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.597420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.597420 (E_RNA) where: Base-Base interactions energy: -1011.509 where: short stacking energy: -470.131 Base-Backbone interact. energy: -2.284 local terms energy: -597.804092 where: bonds (distance) C4'-P energy: -133.574 bonds (distance) P-C4' energy: -151.999 flat angles C4'-P-C4' energy: -143.538 flat angles P-C4'-P energy: -83.746 tors. eta vs tors. theta energy: -84.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -1191.864703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.864703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.864703 (E_RNA) where: Base-Base interactions energy: -674.493 where: short stacking energy: -348.977 Base-Backbone interact. energy: -0.346 local terms energy: -517.025857 where: bonds (distance) C4'-P energy: -144.297 bonds (distance) P-C4' energy: -124.264 flat angles C4'-P-C4' energy: -125.189 flat angles P-C4'-P energy: -90.197 tors. eta vs tors. theta energy: -33.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -656.539402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.539402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.539402 (E_RNA) where: Base-Base interactions energy: -265.173 where: short stacking energy: -212.715 Base-Backbone interact. energy: 0.488 local terms energy: -391.854448 where: bonds (distance) C4'-P energy: -121.816 bonds (distance) P-C4' energy: -131.796 flat angles C4'-P-C4' energy: -109.239 flat angles P-C4'-P energy: -62.765 tors. eta vs tors. theta energy: 33.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -3051.681861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.681861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.681861 (E_RNA) where: Base-Base interactions energy: -2157.212 where: short stacking energy: -859.310 Base-Backbone interact. energy: -2.981 local terms energy: -891.488436 where: bonds (distance) C4'-P energy: -158.719 bonds (distance) P-C4' energy: -169.188 flat angles C4'-P-C4' energy: -190.852 flat angles P-C4'-P energy: -130.927 tors. eta vs tors. theta energy: -241.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -2886.343665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.343665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.343665 (E_RNA) where: Base-Base interactions energy: -2050.458 where: short stacking energy: -809.616 Base-Backbone interact. energy: -9.228 local terms energy: -826.657458 where: bonds (distance) C4'-P energy: -159.841 bonds (distance) P-C4' energy: -155.181 flat angles C4'-P-C4' energy: -173.972 flat angles P-C4'-P energy: -115.993 tors. eta vs tors. theta energy: -221.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -2698.041085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.041085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.041085 (E_RNA) where: Base-Base interactions energy: -1890.667 where: short stacking energy: -784.597 Base-Backbone interact. energy: -3.146 local terms energy: -804.227192 where: bonds (distance) C4'-P energy: -136.168 bonds (distance) P-C4' energy: -155.260 flat angles C4'-P-C4' energy: -181.117 flat angles P-C4'-P energy: -115.432 tors. eta vs tors. theta energy: -216.249 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: 7 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2603.224555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.224555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.224555 (E_RNA) where: Base-Base interactions energy: -1803.441 where: short stacking energy: -775.856 Base-Backbone interact. energy: -1.876 local terms energy: -797.907857 where: bonds (distance) C4'-P energy: -145.480 bonds (distance) P-C4' energy: -161.840 flat angles C4'-P-C4' energy: -157.737 flat angles P-C4'-P energy: -115.115 tors. eta vs tors. theta energy: -217.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2350.964612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.964612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.964612 (E_RNA) where: Base-Base interactions energy: -1616.462 where: short stacking energy: -687.464 Base-Backbone interact. energy: -1.175 local terms energy: -733.327882 where: bonds (distance) C4'-P energy: -125.563 bonds (distance) P-C4' energy: -155.790 flat angles C4'-P-C4' energy: -160.566 flat angles P-C4'-P energy: -112.832 tors. eta vs tors. theta energy: -178.576 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: 6, replica: 8 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -2375.694632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.694632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.694632 (E_RNA) where: Base-Base interactions energy: -1640.156 where: short stacking energy: -712.573 Base-Backbone interact. energy: -2.463 local terms energy: -733.075823 where: bonds (distance) C4'-P energy: -148.669 bonds (distance) P-C4' energy: -140.046 flat angles C4'-P-C4' energy: -150.229 flat angles P-C4'-P energy: -105.378 tors. eta vs tors. theta energy: -188.754 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: 7, replica: 9 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -2073.151440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.151440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.151440 (E_RNA) where: Base-Base interactions energy: -1369.159 where: short stacking energy: -594.508 Base-Backbone interact. energy: -2.640 local terms energy: -701.352204 where: bonds (distance) C4'-P energy: -132.275 bonds (distance) P-C4' energy: -143.433 flat angles C4'-P-C4' energy: -154.875 flat angles P-C4'-P energy: -117.519 tors. eta vs tors. theta energy: -153.251 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: 6 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1648.867670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.867670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.867670 (E_RNA) where: Base-Base interactions energy: -1090.986 where: short stacking energy: -499.730 Base-Backbone interact. energy: -0.318 local terms energy: -557.563611 where: bonds (distance) C4'-P energy: -114.708 bonds (distance) P-C4' energy: -156.943 flat angles C4'-P-C4' energy: -112.928 flat angles P-C4'-P energy: -74.804 tors. eta vs tors. theta energy: -98.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -1163.433822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.433822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.433822 (E_RNA) where: Base-Base interactions energy: -686.080 where: short stacking energy: -343.601 Base-Backbone interact. energy: 1.208 local terms energy: -478.561837 where: bonds (distance) C4'-P energy: -128.281 bonds (distance) P-C4' energy: -147.463 flat angles C4'-P-C4' energy: -116.922 flat angles P-C4'-P energy: -49.884 tors. eta vs tors. theta energy: -36.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -655.387841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.387841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.387841 (E_RNA) where: Base-Base interactions energy: -261.124 where: short stacking energy: -182.400 Base-Backbone interact. energy: 0.658 local terms energy: -394.921830 where: bonds (distance) C4'-P energy: -117.257 bonds (distance) P-C4' energy: -148.998 flat angles C4'-P-C4' energy: -92.092 flat angles P-C4'-P energy: -71.363 tors. eta vs tors. theta energy: 34.787 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: 1, replica: 3 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -3038.199693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.199693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.199693 (E_RNA) where: Base-Base interactions energy: -2144.735 where: short stacking energy: -861.431 Base-Backbone interact. energy: -5.954 local terms energy: -887.510090 where: bonds (distance) C4'-P energy: -151.721 bonds (distance) P-C4' energy: -174.517 flat angles C4'-P-C4' energy: -180.806 flat angles P-C4'-P energy: -136.359 tors. eta vs tors. theta energy: -244.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -2922.022711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.022711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.022711 (E_RNA) where: Base-Base interactions energy: -2054.040 where: short stacking energy: -851.227 Base-Backbone interact. energy: -6.982 local terms energy: -861.000424 where: bonds (distance) C4'-P energy: -143.365 bonds (distance) P-C4' energy: -173.372 flat angles C4'-P-C4' energy: -185.845 flat angles P-C4'-P energy: -122.658 tors. eta vs tors. theta energy: -235.760 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: 474 Temperature: 1.000000 Total energy: -2697.195357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.195357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.195357 (E_RNA) where: Base-Base interactions energy: -1886.490 where: short stacking energy: -796.413 Base-Backbone interact. energy: -2.229 local terms energy: -808.475685 where: bonds (distance) C4'-P energy: -156.598 bonds (distance) P-C4' energy: -158.416 flat angles C4'-P-C4' energy: -165.921 flat angles P-C4'-P energy: -114.539 tors. eta vs tors. theta energy: -213.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -2609.033521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.033521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.033521 (E_RNA) where: Base-Base interactions energy: -1785.506 where: short stacking energy: -754.627 Base-Backbone interact. energy: -3.449 local terms energy: -820.078671 where: bonds (distance) C4'-P energy: -153.940 bonds (distance) P-C4' energy: -157.912 flat angles C4'-P-C4' energy: -183.178 flat angles P-C4'-P energy: -105.959 tors. eta vs tors. theta energy: -219.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -2390.499963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.499963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.499963 (E_RNA) where: Base-Base interactions energy: -1646.430 where: short stacking energy: -719.131 Base-Backbone interact. energy: -1.674 local terms energy: -742.395454 where: bonds (distance) C4'-P energy: -135.333 bonds (distance) P-C4' energy: -166.801 flat angles C4'-P-C4' energy: -156.088 flat angles P-C4'-P energy: -102.784 tors. eta vs tors. theta energy: -181.389 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: 6, replica: 8 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -2362.400515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.400515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.400515 (E_RNA) where: Base-Base interactions energy: -1647.191 where: short stacking energy: -695.438 Base-Backbone interact. energy: -0.602 local terms energy: -714.607179 where: bonds (distance) C4'-P energy: -112.410 bonds (distance) P-C4' energy: -154.367 flat angles C4'-P-C4' energy: -154.284 flat angles P-C4'-P energy: -108.503 tors. eta vs tors. theta energy: -185.043 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: 7, replica: 9 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -2082.287352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.287352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.287352 (E_RNA) where: Base-Base interactions energy: -1389.927 where: short stacking energy: -578.774 Base-Backbone interact. energy: -3.899 local terms energy: -688.461316 where: bonds (distance) C4'-P energy: -131.463 bonds (distance) P-C4' energy: -157.766 flat angles C4'-P-C4' energy: -163.276 flat angles P-C4'-P energy: -101.952 tors. eta vs tors. theta energy: -134.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1675.908034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.908034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.908034 (E_RNA) where: Base-Base interactions energy: -1077.274 where: short stacking energy: -456.329 Base-Backbone interact. energy: 1.071 local terms energy: -599.704419 where: bonds (distance) C4'-P energy: -130.514 bonds (distance) P-C4' energy: -159.762 flat angles C4'-P-C4' energy: -145.049 flat angles P-C4'-P energy: -66.965 tors. eta vs tors. theta energy: -97.414 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: 2 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -1181.122013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.122013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.122013 (E_RNA) where: Base-Base interactions energy: -689.311 where: short stacking energy: -312.294 Base-Backbone interact. energy: 3.998 local terms energy: -495.809576 where: bonds (distance) C4'-P energy: -153.396 bonds (distance) P-C4' energy: -148.739 flat angles C4'-P-C4' energy: -127.752 flat angles P-C4'-P energy: -46.459 tors. eta vs tors. theta energy: -19.464 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: 10 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -597.465907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.465907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.465907 (E_RNA) where: Base-Base interactions energy: -186.821 where: short stacking energy: -167.980 Base-Backbone interact. energy: 0.750 local terms energy: -411.394394 where: bonds (distance) C4'-P energy: -127.239 bonds (distance) P-C4' energy: -152.529 flat angles C4'-P-C4' energy: -113.966 flat angles P-C4'-P energy: -50.811 tors. eta vs tors. theta energy: 33.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -3019.114185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.114185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.114185 (E_RNA) where: Base-Base interactions energy: -2130.910 where: short stacking energy: -845.548 Base-Backbone interact. energy: -6.877 local terms energy: -881.326921 where: bonds (distance) C4'-P energy: -157.009 bonds (distance) P-C4' energy: -178.840 flat angles C4'-P-C4' energy: -188.204 flat angles P-C4'-P energy: -125.979 tors. eta vs tors. theta energy: -231.294 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: 5 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -2918.321792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.321792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.321792 (E_RNA) where: Base-Base interactions energy: -2063.427 where: short stacking energy: -844.539 Base-Backbone interact. energy: -4.974 local terms energy: -849.921166 where: bonds (distance) C4'-P energy: -141.704 bonds (distance) P-C4' energy: -160.603 flat angles C4'-P-C4' energy: -173.029 flat angles P-C4'-P energy: -126.642 tors. eta vs tors. theta energy: -247.943 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: 1 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2749.944268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.944268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.944268 (E_RNA) where: Base-Base interactions energy: -1908.774 where: short stacking energy: -783.436 Base-Backbone interact. energy: -3.784 local terms energy: -837.386194 where: bonds (distance) C4'-P energy: -143.901 bonds (distance) P-C4' energy: -166.776 flat angles C4'-P-C4' energy: -186.906 flat angles P-C4'-P energy: -130.546 tors. eta vs tors. theta energy: -209.258 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: 7 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -2605.514996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.514996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.514996 (E_RNA) where: Base-Base interactions energy: -1810.047 where: short stacking energy: -755.099 Base-Backbone interact. energy: -2.965 local terms energy: -792.503504 where: bonds (distance) C4'-P energy: -145.380 bonds (distance) P-C4' energy: -163.429 flat angles C4'-P-C4' energy: -157.715 flat angles P-C4'-P energy: -114.720 tors. eta vs tors. theta energy: -211.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -2379.235053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.235053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.235053 (E_RNA) where: Base-Base interactions energy: -1648.007 where: short stacking energy: -697.316 Base-Backbone interact. energy: -2.510 local terms energy: -728.718324 where: bonds (distance) C4'-P energy: -120.202 bonds (distance) P-C4' energy: -160.295 flat angles C4'-P-C4' energy: -155.808 flat angles P-C4'-P energy: -106.228 tors. eta vs tors. theta energy: -186.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -2353.296173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.296173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.296173 (E_RNA) where: Base-Base interactions energy: -1630.431 where: short stacking energy: -663.370 Base-Backbone interact. energy: -1.940 local terms energy: -720.924920 where: bonds (distance) C4'-P energy: -144.050 bonds (distance) P-C4' energy: -160.956 flat angles C4'-P-C4' energy: -158.491 flat angles P-C4'-P energy: -96.272 tors. eta vs tors. theta energy: -161.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -2093.499223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.499223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.499223 (E_RNA) where: Base-Base interactions energy: -1421.425 where: short stacking energy: -607.579 Base-Backbone interact. energy: 2.326 local terms energy: -674.400798 where: bonds (distance) C4'-P energy: -130.279 bonds (distance) P-C4' energy: -160.687 flat angles C4'-P-C4' energy: -137.282 flat angles P-C4'-P energy: -101.986 tors. eta vs tors. theta energy: -144.168 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: 6 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1748.228459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.228459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.228459 (E_RNA) where: Base-Base interactions energy: -1119.352 where: short stacking energy: -501.605 Base-Backbone interact. energy: -3.287 local terms energy: -625.589899 where: bonds (distance) C4'-P energy: -139.758 bonds (distance) P-C4' energy: -145.387 flat angles C4'-P-C4' energy: -142.815 flat angles P-C4'-P energy: -84.780 tors. eta vs tors. theta energy: -112.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -1232.783552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.783552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.783552 (E_RNA) where: Base-Base interactions energy: -707.997 where: short stacking energy: -334.075 Base-Backbone interact. energy: -2.652 local terms energy: -522.133900 where: bonds (distance) C4'-P energy: -119.979 bonds (distance) P-C4' energy: -157.645 flat angles C4'-P-C4' energy: -121.913 flat angles P-C4'-P energy: -93.261 tors. eta vs tors. theta energy: -29.336 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: 10 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -606.091132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.091132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.091132 (E_RNA) where: Base-Base interactions energy: -190.910 where: short stacking energy: -157.925 Base-Backbone interact. energy: 4.175 local terms energy: -419.355846 where: bonds (distance) C4'-P energy: -136.898 bonds (distance) P-C4' energy: -137.855 flat angles C4'-P-C4' energy: -106.261 flat angles P-C4'-P energy: -64.106 tors. eta vs tors. theta energy: 25.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -3032.013567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.013567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.013567 (E_RNA) where: Base-Base interactions energy: -2144.748 where: short stacking energy: -842.077 Base-Backbone interact. energy: -6.091 local terms energy: -881.175229 where: bonds (distance) C4'-P energy: -161.107 bonds (distance) P-C4' energy: -166.423 flat angles C4'-P-C4' energy: -198.353 flat angles P-C4'-P energy: -117.619 tors. eta vs tors. theta energy: -237.674 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: 476 Temperature: 0.950000 Total energy: -2906.727325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.727325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.727325 (E_RNA) where: Base-Base interactions energy: -2031.766 where: short stacking energy: -821.217 Base-Backbone interact. energy: -1.123 local terms energy: -873.838764 where: bonds (distance) C4'-P energy: -153.552 bonds (distance) P-C4' energy: -171.876 flat angles C4'-P-C4' energy: -188.785 flat angles P-C4'-P energy: -114.224 tors. eta vs tors. theta energy: -245.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2747.219494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.219494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.219494 (E_RNA) where: Base-Base interactions energy: -1912.040 where: short stacking energy: -766.731 Base-Backbone interact. energy: -5.340 local terms energy: -829.839393 where: bonds (distance) C4'-P energy: -138.559 bonds (distance) P-C4' energy: -164.378 flat angles C4'-P-C4' energy: -179.742 flat angles P-C4'-P energy: -125.461 tors. eta vs tors. theta energy: -221.699 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: 7 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -2603.990728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.990728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.990728 (E_RNA) where: Base-Base interactions energy: -1792.375 where: short stacking energy: -773.118 Base-Backbone interact. energy: -3.465 local terms energy: -808.151172 where: bonds (distance) C4'-P energy: -156.166 bonds (distance) P-C4' energy: -166.802 flat angles C4'-P-C4' energy: -166.820 flat angles P-C4'-P energy: -108.389 tors. eta vs tors. theta energy: -209.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -2434.629444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.629444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.629444 (E_RNA) where: Base-Base interactions energy: -1682.138 where: short stacking energy: -716.569 Base-Backbone interact. energy: -0.203 local terms energy: -752.288913 where: bonds (distance) C4'-P energy: -141.022 bonds (distance) P-C4' energy: -142.611 flat angles C4'-P-C4' energy: -185.736 flat angles P-C4'-P energy: -88.243 tors. eta vs tors. theta energy: -194.676 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: 476 Temperature: 1.150000 Total energy: -2333.135873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.135873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.135873 (E_RNA) where: Base-Base interactions energy: -1598.295 where: short stacking energy: -669.525 Base-Backbone interact. energy: -2.531 local terms energy: -732.310065 where: bonds (distance) C4'-P energy: -143.303 bonds (distance) P-C4' energy: -162.442 flat angles C4'-P-C4' energy: -159.503 flat angles P-C4'-P energy: -86.439 tors. eta vs tors. theta energy: -180.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -2111.139091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.139091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.139091 (E_RNA) where: Base-Base interactions energy: -1424.971 where: short stacking energy: -599.637 Base-Backbone interact. energy: -1.663 local terms energy: -684.504217 where: bonds (distance) C4'-P energy: -124.790 bonds (distance) P-C4' energy: -147.517 flat angles C4'-P-C4' energy: -149.087 flat angles P-C4'-P energy: -101.808 tors. eta vs tors. theta energy: -161.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1715.263092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.263092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.263092 (E_RNA) where: Base-Base interactions energy: -1107.065 where: short stacking energy: -495.486 Base-Backbone interact. energy: -2.910 local terms energy: -605.481845 where: bonds (distance) C4'-P energy: -114.425 bonds (distance) P-C4' energy: -158.355 flat angles C4'-P-C4' energy: -146.762 flat angles P-C4'-P energy: -83.990 tors. eta vs tors. theta energy: -101.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.194 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -1249.685492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.685492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.685492 (E_RNA) where: Base-Base interactions energy: -746.209 where: short stacking energy: -389.074 Base-Backbone interact. energy: 6.953 local terms energy: -510.429266 where: bonds (distance) C4'-P energy: -136.551 bonds (distance) P-C4' energy: -132.589 flat angles C4'-P-C4' energy: -103.969 flat angles P-C4'-P energy: -82.485 tors. eta vs tors. theta energy: -54.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -622.974378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.974378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.974378 (E_RNA) where: Base-Base interactions energy: -207.112 where: short stacking energy: -184.272 Base-Backbone interact. energy: 1.506 local terms energy: -417.368299 where: bonds (distance) C4'-P energy: -117.346 bonds (distance) P-C4' energy: -139.774 flat angles C4'-P-C4' energy: -124.279 flat angles P-C4'-P energy: -80.199 tors. eta vs tors. theta energy: 44.230 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: 3 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -3043.965619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.965619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.965619 (E_RNA) where: Base-Base interactions energy: -2170.505 where: short stacking energy: -866.873 Base-Backbone interact. energy: 5.481 local terms energy: -878.941691 where: bonds (distance) C4'-P energy: -164.782 bonds (distance) P-C4' energy: -151.960 flat angles C4'-P-C4' energy: -196.521 flat angles P-C4'-P energy: -126.663 tors. eta vs tors. theta energy: -239.015 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: 5 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -2910.409772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.409772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.409772 (E_RNA) where: Base-Base interactions energy: -2027.056 where: short stacking energy: -791.825 Base-Backbone interact. energy: -6.446 local terms energy: -876.908495 where: bonds (distance) C4'-P energy: -163.671 bonds (distance) P-C4' energy: -172.016 flat angles C4'-P-C4' energy: -179.030 flat angles P-C4'-P energy: -118.099 tors. eta vs tors. theta energy: -244.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -2781.905194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.905194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.905194 (E_RNA) where: Base-Base interactions energy: -1920.832 where: short stacking energy: -800.322 Base-Backbone interact. energy: 0.605 local terms energy: -861.678915 where: bonds (distance) C4'-P energy: -149.792 bonds (distance) P-C4' energy: -163.519 flat angles C4'-P-C4' energy: -181.656 flat angles P-C4'-P energy: -137.769 tors. eta vs tors. theta energy: -228.943 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: 4, replica: 7 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -2570.391511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.391511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.391511 (E_RNA) where: Base-Base interactions energy: -1788.782 where: short stacking energy: -734.906 Base-Backbone interact. energy: -3.885 local terms energy: -777.724543 where: bonds (distance) C4'-P energy: -133.473 bonds (distance) P-C4' energy: -152.001 flat angles C4'-P-C4' energy: -177.529 flat angles P-C4'-P energy: -106.590 tors. eta vs tors. theta energy: -208.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -2493.482029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.482029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.482029 (E_RNA) where: Base-Base interactions energy: -1720.268 where: short stacking energy: -708.871 Base-Backbone interact. energy: -3.926 local terms energy: -769.288331 where: bonds (distance) C4'-P energy: -157.205 bonds (distance) P-C4' energy: -152.895 flat angles C4'-P-C4' energy: -159.828 flat angles P-C4'-P energy: -108.669 tors. eta vs tors. theta energy: -190.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -2322.984674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.984674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.984674 (E_RNA) where: Base-Base interactions energy: -1557.556 where: short stacking energy: -691.723 Base-Backbone interact. energy: -2.717 local terms energy: -762.711730 where: bonds (distance) C4'-P energy: -143.378 bonds (distance) P-C4' energy: -160.194 flat angles C4'-P-C4' energy: -175.682 flat angles P-C4'-P energy: -97.587 tors. eta vs tors. theta energy: -185.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -2138.638646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.638646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.638646 (E_RNA) where: Base-Base interactions energy: -1417.144 where: short stacking energy: -616.715 Base-Backbone interact. energy: -1.857 local terms energy: -719.637530 where: bonds (distance) C4'-P energy: -153.261 bonds (distance) P-C4' energy: -150.163 flat angles C4'-P-C4' energy: -156.097 flat angles P-C4'-P energy: -115.064 tors. eta vs tors. theta energy: -145.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1744.764973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.764973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.764973 (E_RNA) where: Base-Base interactions energy: -1139.310 where: short stacking energy: -498.861 Base-Backbone interact. energy: -0.560 local terms energy: -604.895025 where: bonds (distance) C4'-P energy: -136.450 bonds (distance) P-C4' energy: -133.616 flat angles C4'-P-C4' energy: -139.896 flat angles P-C4'-P energy: -92.885 tors. eta vs tors. theta energy: -102.047 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: 9, replica: 2 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -1218.784669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.784669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.784669 (E_RNA) where: Base-Base interactions energy: -723.409 where: short stacking energy: -362.170 Base-Backbone interact. energy: -0.248 local terms energy: -495.127419 where: bonds (distance) C4'-P energy: -120.088 bonds (distance) P-C4' energy: -137.852 flat angles C4'-P-C4' energy: -120.460 flat angles P-C4'-P energy: -76.004 tors. eta vs tors. theta energy: -40.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -618.369220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.369220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.369220 (E_RNA) where: Base-Base interactions energy: -236.656 where: short stacking energy: -184.399 Base-Backbone interact. energy: 15.512 local terms energy: -399.436981 where: bonds (distance) C4'-P energy: -122.541 bonds (distance) P-C4' energy: -157.537 flat angles C4'-P-C4' energy: -107.398 flat angles P-C4'-P energy: -43.801 tors. eta vs tors. theta energy: 31.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.212 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -3080.921379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.921379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.921379 (E_RNA) where: Base-Base interactions energy: -2197.308 where: short stacking energy: -885.128 Base-Backbone interact. energy: -1.807 local terms energy: -881.807294 where: bonds (distance) C4'-P energy: -166.113 bonds (distance) P-C4' energy: -150.406 flat angles C4'-P-C4' energy: -191.445 flat angles P-C4'-P energy: -130.586 tors. eta vs tors. theta energy: -243.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -2903.603287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.603287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.603287 (E_RNA) where: Base-Base interactions energy: -2053.706 where: short stacking energy: -830.329 Base-Backbone interact. energy: -1.811 local terms energy: -848.086160 where: bonds (distance) C4'-P energy: -144.524 bonds (distance) P-C4' energy: -155.779 flat angles C4'-P-C4' energy: -185.108 flat angles P-C4'-P energy: -116.847 tors. eta vs tors. theta energy: -245.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2771.924649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.924649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.924649 (E_RNA) where: Base-Base interactions energy: -1934.642 where: short stacking energy: -806.327 Base-Backbone interact. energy: -2.530 local terms energy: -834.966554 where: bonds (distance) C4'-P energy: -149.626 bonds (distance) P-C4' energy: -163.162 flat angles C4'-P-C4' energy: -175.740 flat angles P-C4'-P energy: -118.751 tors. eta vs tors. theta energy: -227.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.213 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -2634.793899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.793899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.793899 (E_RNA) where: Base-Base interactions energy: -1795.423 where: short stacking energy: -774.032 Base-Backbone interact. energy: -3.314 local terms energy: -836.057220 where: bonds (distance) C4'-P energy: -151.070 bonds (distance) P-C4' energy: -176.974 flat angles C4'-P-C4' energy: -175.054 flat angles P-C4'-P energy: -102.051 tors. eta vs tors. theta energy: -230.908 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: 8 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -2486.243824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.243824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.243824 (E_RNA) where: Base-Base interactions energy: -1729.912 where: short stacking energy: -748.502 Base-Backbone interact. energy: -2.733 local terms energy: -753.599572 where: bonds (distance) C4'-P energy: -129.874 bonds (distance) P-C4' energy: -150.061 flat angles C4'-P-C4' energy: -171.993 flat angles P-C4'-P energy: -105.114 tors. eta vs tors. theta energy: -196.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -2257.610834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.610834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.610834 (E_RNA) where: Base-Base interactions energy: -1526.723 where: short stacking energy: -650.403 Base-Backbone interact. energy: -1.736 local terms energy: -729.151391 where: bonds (distance) C4'-P energy: -145.959 bonds (distance) P-C4' energy: -153.128 flat angles C4'-P-C4' energy: -158.099 flat angles P-C4'-P energy: -105.176 tors. eta vs tors. theta energy: -166.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -2109.394378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.394378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.394378 (E_RNA) where: Base-Base interactions energy: -1450.384 where: short stacking energy: -600.940 Base-Backbone interact. energy: -1.048 local terms energy: -657.962788 where: bonds (distance) C4'-P energy: -135.360 bonds (distance) P-C4' energy: -145.895 flat angles C4'-P-C4' energy: -149.541 flat angles P-C4'-P energy: -81.490 tors. eta vs tors. theta energy: -145.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1720.798106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.798106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.798106 (E_RNA) where: Base-Base interactions energy: -1094.158 where: short stacking energy: -453.341 Base-Backbone interact. energy: 7.258 local terms energy: -633.898241 where: bonds (distance) C4'-P energy: -145.035 bonds (distance) P-C4' energy: -164.530 flat angles C4'-P-C4' energy: -138.977 flat angles P-C4'-P energy: -96.946 tors. eta vs tors. theta energy: -88.410 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: 2 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -1261.792559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.792559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.792559 (E_RNA) where: Base-Base interactions energy: -767.089 where: short stacking energy: -349.862 Base-Backbone interact. energy: -0.513 local terms energy: -494.190151 where: bonds (distance) C4'-P energy: -125.164 bonds (distance) P-C4' energy: -146.949 flat angles C4'-P-C4' energy: -124.125 flat angles P-C4'-P energy: -57.254 tors. eta vs tors. theta energy: -40.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -585.600783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.600783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.600783 (E_RNA) where: Base-Base interactions energy: -203.240 where: short stacking energy: -166.972 Base-Backbone interact. energy: -0.946 local terms energy: -381.429482 where: bonds (distance) C4'-P energy: -123.799 bonds (distance) P-C4' energy: -151.563 flat angles C4'-P-C4' energy: -86.130 flat angles P-C4'-P energy: -59.898 tors. eta vs tors. theta energy: 39.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.015 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE